elements listlengths 1 9 | nsites int32 1 444 | chemical_formula_anonymous stringlengths 1 18 | chemical_formula_reduced stringlengths 1 23 | chemical_formula_descriptive stringlengths 2 34 | nelements int8 1 9 | dimension_types listlengths 3 3 | nperiodic_dimensions int8 3 3 | lattice_vectors listlengths 3 3 | immutable_id stringlengths 4 13 ⌀ | cartesian_site_positions listlengths 1 444 | species stringlengths 138 1.25k | species_at_sites listlengths 1 444 | last_modified stringlengths 19 19 | elements_ratios listlengths 1 9 | stress_tensor listlengths 0 3 | energy float64 -2,749.01 5.19k | magnetic_moments listlengths 0 444 | forces listlengths 0 444 | total_magnetization float64 -340.3 383 ⌀ | dos_ef float64 -14.23 392 ⌀ | functional stringclasses 1 value | cross_compatibility bool 1 class | entalpic_fingerprint stringlengths 37 62 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"As",
"Dy"
] | 4 | A3B | AsDy3 | Dy3 As1 | 2 | [
1,
1,
1
] | 3 | [
[
6.05669631,
0.01983891,
0
],
[
2.73036611,
5.40639109,
0
],
[
-4.39353121,
-2.713115,
3.16541534
]
] | agm004035615 | [
[
0,
0,
0
],
[
3.028348155,
0.00991945499999991,
1.58270767
],
[
1.3651830550000001,
2.703195545,
1.58270767
],
[
4.39353121,
2.7131149999999997,
0
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}] | [
"As",
"Dy",
"Dy",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
0.476207,
-0.05705332,
0
],
[
-0.05705332,
0.5333654,
0
],
[
0,
0,
0.5685973
]
] | -20.068232 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000002 | 3.598802 | pbe | true | 64aa0502dc33fa0118e35c2c22f43533_139_Dy3As1 |
[
"Cd",
"Nd",
"O",
"Sb",
"Ti"
] | 22 | A7BCDE | CdNdO7SbTi | Nd2 Ti2 Cd2 Sb2 O14 | 5 | [
1,
1,
1
] | 3 | [
[
7.35904608,
0.00114458,
-0.00219314
],
[
-0.0892314,
7.35850516,
0.00219314
],
[
-3.50140931,
-3.81169336,
5.23131836
]
] | agm003228627 | [
[
1.9288183849999998,
-1.90527439,
2.61456261
],
[
0,
0,
0
],
[
-0.0446157,
3.67925258,
0.00109657
],
[
-1.750704655,
-1.90584668,
2.61565918
],
[
3.67952304,
0.00057229,
-0.00109657
],
[
1.8842026849999998,
1.77397819,
2.61... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}] | [
"Nd",
"Nd",
"Ti",
"Ti",
"Cd",
"Cd",
"Sb",
"Sb",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.09090909090909091,
0.09090909090909091,
0.6363636363636364,
0.09090909090909091,
0.09090909090909091
] | [
[
0.8671084,
-0.03374879,
-0.04508263
],
[
-0.03374879,
0.8662794,
0.04453233
],
[
-0.04508263,
0.04453233,
0.90504444
]
] | -156.106702 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00140095,
-0.00141827,
0
],
[
-0.00168019,
-0.00170095,... | 0.000144 | 0 | pbe | true | d8b75bf427f70dbbb0bc31b83e9d5041_74_Nd2Ti2Cd2Sb2O14 |
[
"Ce",
"Co",
"N",
"O",
"Tl"
] | 88 | A24B12C5D2E | CeCo2N12O24Tl5 | Ce2 Co4 N24 O48 Tl10 | 5 | [
1,
1,
1
] | 3 | [
[
10.7585442,
0,
0
],
[
0,
10.7585442,
0
],
[
0,
0,
10.7585442
]
] | mp-21973 | [
[
5.3083033631847,
3.386689229357172,
5.377949767332378
],
[
8.765961329357172,
-0.0013223326676219998,
5.4502408368153
],
[
8.765961329357172,
5.380594432667621,
10.687575463184698
],
[
7.371854970642827,
-0.0013223326676219998,
10.687575463184698
],
... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}] | [
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"... | 2014-08-25 05:22:56 | [
0.022727272727272728,
0.045454545454545456,
0.2727272727272727,
0.5454545454545454,
0.11363636363636363
] | [] | -537.680632 | [
0.015,
0.019,
0.02,
0.019,
0.012,
0.014,
0.015,
0.011,
0.014,
0.012,
0.012,
0.015,
0.02,
0.019,
0.02,
0.019,
0.02,
0.012,
0.012,
0.012,
0.014,
0.011,
0.015,
0.014,
-0.005,
-0.01,
-0.005,
-0.005,
-0.005,
-0.005,
-0.008,
-0.01,
-0.01,
-0.008,
-0.01,
... | [] | 5.838 | 3.433735 | pbe | true | aa4539093fadd3d07544a748dca8d4e7_201_Ce2Tl10Co4N24O48 |
[
"Ga",
"La",
"N",
"O"
] | 10 | A6B2CD | Ga2La6NO | La6 Ga2 N1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
7.1290964,
0,
0
],
[
3.5645482,
6.17397859,
0
],
[
3.5645482,
2.05799286,
5.82088285
]
] | agm002347122 | [
[
7.1290964,
4.115985725,
2.910441425
],
[
0,
0,
0
],
[
3.5645482,
2.0579928625,
1.4552207125
],
[
10.693644599999999,
6.1739785875,
4.3656621375
],
[
7.129096399999999,
6.157307610518032,
4.353873976596322
],
[
8.89693301042554,
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}] | [
"N",
"O",
"Ga",
"Ga",
"La",
"La",
"La",
"La",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.1,
0.1
] | [
[
0.16212134,
0,
0
],
[
0,
0.16212134,
0
],
[
0,
0,
0.16212134
]
] | -60.255448 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00201353,
-0.00142378
],
[
-0.00174377,
0.00100677,
-0.00142378
],
[
0.00174377,
-0.00100677,
0.00142378
],
[
0.00174377,
0.00100677,
... | -0.000002 | 4.352684 | pbe | true | fb6f7881370251930f79472e6168aaa1_225_La6Ga2N1O1 |
[
"Hg",
"Os",
"Sn",
"Th"
] | 10 | A2BCD | HgOsSnTh2 | Th4 Sn2 Hg2 Os2 | 4 | [
1,
1,
1
] | 3 | [
[
4.3452164,
0,
0
],
[
0,
8.20000349,
0.16366668
],
[
0,
-3.21301158,
7.40652847
]
] | agm005001718 | [
[
3.2589123,
5.147043408193536,
5.025436124428635
],
[
3.2589123,
5.9099133430687045,
0.3029426109635955
],
[
1.0863041,
-0.16005149819353487,
2.5447590255713637
],
[
1.0863041,
-0.9229214330687041,
7.267252539036404
],
[
1.0863041,
2.281808177... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"Th",
"Th",
"Th",
"Th",
"Sn",
"Sn",
"Hg",
"Hg",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
4.2042766,
0,
0
],
[
0,
4.184422,
-0.01454448
],
[
0,
-0.01454437,
4.1478915
]
] | -64.255934 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00406301,
-0.00246699
],
[
0,
-0.00079416,
0.0042955
],
[
0,
-0.00406301,
0.00246699
],
[
0,
0.00079416,
-0.0042955
],
[
0,
0.0022132,
-0.00184126
],
[
0,
-0.0022132,
0.00184126
],
[
0,
-0.00494033,
0.... | -0.000006 | 7.485386 | pbe | true | 577a33e88e7492471c76f0ca50940114_11_Th4Sn2Hg2Os2 |
[
"Cl",
"K",
"Mg"
] | 8 | A2BC | ClKMg2 | K2 Mg4 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
9.34146923,
0,
0
],
[
0,
9.34146923,
0
],
[
4.67073462,
4.67073462,
3.02659855
]
] | agm002850117 | [
[
0,
0,
0
],
[
9.3414692325,
4.6707346175,
1.513299275
],
[
6.512335961242813,
2.33536730875,
0.7566496375
],
[
2.829133271257186,
7.00610192375,
0.7566496375
],
[
7.0061019262499995,
7.499867888757186,
2.2699489125000003
],
[
11.67... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"K",
"K",
"Mg",
"Mg",
"Mg",
"Mg",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
-1.0945356,
0,
0
],
[
0,
-1.0945356,
0
],
[
0,
0,
2.9111562
]
] | -15.495154 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0466871,
0,
0
],
[
-0.0466871,
0,
0
],
[
0,
-0.0466871,
0
],
[
0,
0.0466871,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 1.487412 | pbe | true | cbe92dd7100327af2984fa3aad5da3d6_122_K2Mg4Cl2 |
[
"Cl",
"K",
"Mo"
] | 19 | A12B6C | Cl12K6Mo | K6 Mo1 Cl12 | 3 | [
1,
1,
1
] | 3 | [
[
8.8462701,
1.64388801,
-1.07094641
],
[
-1.38101238,
8.8911012,
-1.0709473
],
[
1.16488506,
1.64388831,
8.83439366
]
] | agm006096619 | [
[
1.6234928915332905,
4.898200229511893,
5.206133069189362
],
[
5.813938050245832,
5.416889012415523,
6.416085481218518
],
[
2.5714426725459303,
9.02370301758004,
4.033753877219852
],
[
7.006649888466709,
7.280677290488106,
1.4863668808106385
],
[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}] | [
"K",
"K",
"K",
"K",
"K",
"K",
"Mo",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.631578947368421,
0.3157894736842105,
0.05263157894736842
] | [
[
0.13617869,
-0.0392025,
-0.02154241
],
[
-0.03920249,
0.10863557,
-0.03040074
],
[
-0.02154243,
-0.03040073,
0.14725257
]
] | -67.02915 | [
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
-0.078,
0.08,
0.08,
0.08,
0.08,
0.08,
0.08,
0.005,
0.005,
0.005,
0.005,
0.005,
0.005
] | [
[
-0.0024286,
-0.0000358,
0.00296118
],
[
0.00078396,
-0.00212361,
0.00308929
],
[
-0.00305993,
0.0023032,
-0.00000974
],
[
0.0024286,
0.0000358,
-0.00296118
],
[
-0.00078396,
0.00212361,
-0.00308929
],
[
0.00305993,
-0.0023032,... | 0.630906 | -2.764358 | pbe | true | 8f055f541ea547014eada7f2fee54401_148_K6Mo1Cl12 |
[
"Mo",
"S",
"Te",
"W"
] | 12 | A2B2CD | MoS2Te2W | Te4 Mo2 W2 S4 | 4 | [
1,
1,
1
] | 3 | [
[
1.67895078,
-2.90802805,
0
],
[
1.67895078,
2.90802805,
0
],
[
0,
0,
34.66097039
]
] | agm005257350 | [
[
0,
0,
11.356146340508245
],
[
0,
0,
25.9148519638502
],
[
0,
0,
7.570269268348326
],
[
0,
0,
22.10709827361893
],
[
0,
0,
16.616589478533253
],
[
1.67895078,
0.9693427027201871,
9.462472991856016
],
[
0,
0,
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Te",
"Te",
"Te",
"Te",
"Mo",
"Mo",
"W",
"W",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.3333333333333333,
0.3333333333333333,
0.16666666666666666
] | [
[
0.59474224,
0,
0
],
[
0,
0.59474224,
0
],
[
0,
0,
0.24567413
]
] | -81.861415 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00142831
],
[
0,
0,
-0.00094806
],
[
0,
0,
-0.00432153
],
[
0,
0,
-0.00207194
],
[
0,
0,
0.00340241
],
[
0,
0,
-0.00990592
],
[
0,
0,
0.00165042
],
[
0,
0,
0.00559345
],
[
0... | 0 | 1.626723 | pbe | true | 3eeea9bd74102b83f3609f4630835949_156_Te4Mo2W2S4 |
[
"Ce",
"H",
"K",
"O",
"S"
] | 80 | A25B6C5D2E2 | Ce2H2K5O25S6 | K10 Ce4 H4 S12 O50 | 5 | [
1,
1,
1
] | 3 | [
[
9.63435451,
-0.0063851,
-0.03404063
],
[
7.00979621,
6.60935585,
-0.03404063
],
[
6.74610655,
2.67627618,
18.31420258
]
] | agm005225693 | [
[
15.617435018905798,
6.606059504373423,
4.213445048402739
],
[
19.271833699884887,
7.235008423978445,
13.370546338402738
],
[
11.161956556827308,
3.4271777281037634,
3.5540376198208303
],
[
13.848836018938927,
6.494958551794726,
12.71113890982083
],
[... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}] | [
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"Ce",
"Ce",
"Ce",
"Ce",
"H",
"H",
"H",
"H",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",... | 2023-11-16 06:57:59 | [
0.05,
0.05,
0.125,
0.625,
0.15
] | [
[
0.58979654,
-0.01039994,
-0.02625292
],
[
-0.01039994,
0.6118859,
-0.0104149
],
[
-0.02625291,
-0.0104149,
0.5965943
]
] | -498.920344 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0.532,
0.532,
0.537,
0.537,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
-0.001,
-0.001,
-0.005,
-0.005,
-0.004,
-0.004,
-0.001,
-0.001,
-0.002,
-0.002,
-0.004,
-0.004,
-0.002,
-0.002,
-0.001,
... | [
[
-0.00003464,
-0.00128763,
0.00103866
],
[
-0.00090794,
0.0009137,
0.00103866
],
[
0.00093248,
0.00027028,
-0.00016244
],
[
0.00086417,
0.00044247,
-0.00016244
],
[
-0.00037344,
-0.00061511,
-0.00080167
],
[
-0.00069356,
0.0001... | 2.084351 | 15.096423 | pbe | true | 9255e548460f8b5b9e28c4cbf627ff74_9_K10Ce4H4S12O50 |
[
"Ce",
"H",
"O",
"Rb",
"S"
] | 60 | A9B2C2DE | CeH2O9RbS2 | Rb4 Ce4 H8 S8 O36 | 5 | [
1,
1,
1
] | 3 | [
[
8.86258439,
0,
0
],
[
0,
10.35135109,
0.04248199
],
[
0,
5.14148008,
9.32075254
]
] | agm005290669 | [
[
1.6795007756707259,
3.8447745182952784,
2.9013988291093757
],
[
6.110792970670725,
9.07731661170472,
1.8014594308906242
],
[
7.183083614329275,
11.64805665170472,
6.461835700890625
],
[
2.7517914193292743,
6.415514558295278,
7.561775099109377
],
[
... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}] | [
"Rb",
"Rb",
"Rb",
"Rb",
"Ce",
"Ce",
"Ce",
"Ce",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
... | 2023-11-16 06:57:59 | [
0.06666666666666667,
0.13333333333333333,
0.6,
0.06666666666666667,
0.13333333333333333
] | [
[
0.45200887,
0,
0
],
[
0,
0.6813177,
0.10504074
],
[
0,
0.1050407,
0.5011176
]
] | -376.853973 | [
0,
0,
0,
0,
0.973,
0.973,
0.973,
0.973,
0,
0,
0,
0,
0,
0,
0,
0,
0.001,
0.001,
0.001,
0.001,
0,
0,
0,
0,
-0.002,
-0.002,
-0.002,
-0.002,
-0.002,
-0.002,
-0.002,
-0.002,
-0.002,
-0.002,
-0.002,
-0.002,
-0.003,
-0.003,
-0.003,
-0.003,
-0.0... | [
[
-0.0003945,
-0.00078603,
0.00031599
],
[
-0.0003945,
0.00078603,
-0.00031599
],
[
0.0003945,
0.00078603,
-0.00031599
],
[
0.0003945,
-0.00078603,
0.00031599
],
[
-0.00111407,
0.00275822,
-0.00146165
],
[
-0.00111407,
-0.002758... | 4.000179 | 28.840271 | pbe | true | 4d457ebfb0baa3701f7d748397279219_14_Rb4Ce4H8S8O36 |
[
"Nd",
"Sb",
"Se",
"Tl"
] | 12 | A3BCD | NdSbSe3Tl | Nd1 Sb1 Se3 Tl1 | 4 | [
1,
1,
1
] | 3 | [
[
2.065644284,
-7.364083183,
0
],
[
2.065644284,
7.364083183,
0
],
[
0,
0,
11.975109225
]
] | oqmd-7489242 | [
[
0,
0,
0
],
[
0,
0,
5.98755
],
[
2.06564,
1.8811600000000008,
2.99378
],
[
2.06564,
-1.8811600000000008,
8.981330000000002
],
[
2.06564,
2.07077,
0.20033
],
[
2.0656400000000006,
7.086630000000001,
2.99378
],
[
2.06... | [{"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}] | [
"Nd",
"Nd",
"Sb",
"Sb",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Tl",
"Tl"
] | 2024-11-01 00:00:00 | [
0.16666666666666666,
0.16666666666666666,
0.5,
0.16666666666666666
] | [
[
5.00912557,
0,
0
],
[
0,
4.95399392,
0
],
[
0,
0,
9.6386563
]
] | -52.979 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.026818,
0
],
[
0,
-0.026818,
0
],
[
0,
-0.035986,
-0.002141
],
[
0,
-0.022816,
0
],
[
0,
-0.035986,
0.002141
],
[
0,
0.035986,
-0.002141
],
[
0,
0.... | 0.011649 | null | pbe | true | a743d8fb4eee4e4ac06b97684b7c4832_63_Nd2Tl2Sb2Se6 |
[
"Cl",
"Co",
"H",
"N",
"O"
] | 124 | A18B6C3D3E | Cl3CoH18N6O3 | Cl12 Co4 H72 N24 O12 | 5 | [
1,
1,
1
] | 3 | [
[
0,
7.57960891,
0
],
[
0.04972099,
0,
12.17586566
],
[
12.9711093,
0,
-4.25000458
]
] | mp-1201414 | [
[
0,
0,
0
],
[
0.024860495,
3.789804455,
6.08793283
],
[
6.48555465,
3.789804455,
-2.12500229
],
[
6.5104151450000005,
0,
3.96293054
],
[
1.6547011620191647,
6.06672230659192,
10.90790134380776
],
[
11.390989622980836,
2.2769178... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"Co",
"Co",
"Co",
"Co",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",... | 2019-04-19 18:43:00 | [
0.0967741935483871,
0.03225806451612903,
0.5806451612903226,
0.1935483870967742,
0.0967741935483871
] | [
[
-2.9214534,
0,
-0.19938741
],
[
0,
-1.06962733,
0
],
[
-0.19938738,
0,
-2.7210101
]
] | -599.628727 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0... | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.02832531,
-0.02390889,
-0.10966644
],
[
0.02832531,
-0.02390889,
0.10966644
],
[
0.02832531,
0.02390889,
0.10966644
],
[
-0.02832531,
0.023... | 0 | -0.939259 | pbe | true | 843ecb1a4e938a4dd0d930d894fd6a72_14_Co4H72N24Cl12O12 |
[
"Cl",
"Co",
"H",
"O",
"P"
] | 80 | A4B3CDE | ClCoH4O3P | Cl8 Co8 H32 O24 P8 | 5 | [
1,
1,
1
] | 3 | [
[
7.46609804,
0,
0
],
[
0,
13.40354599,
0
],
[
0,
0,
9.56186444
]
] | mp-728709 | [
[
4.617840097287654,
6.718014607817922,
3.3926800227616063
],
[
0.8847910772876532,
13.387304377182076,
6.1691844172383945
],
[
2.848257942712347,
0.0162416128179226,
1.388252197238394
],
[
6.581306962712347,
6.685531382182077,
8.173612242761607
],
[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
... | 2014-01-19 20:39:35 | [
0.1,
0.1,
0.4,
0.3,
0.1
] | [] | -408.064038 | [
2.735,
2.735,
2.735,
2.735,
2.735,
2.735,
2.735,
2.735,
0.005,
0.005,
0.005,
0.005,
0.005,
0.005,
0.005,
0.005,
0.003,
0.003,
0.003,
0.003,
0.003,
0.003,
0.003,
0.003,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
0,
0,
0,
0,
0,
0,
... | [] | 23.352 | 1.005044 | pbe | true | b6d3b6979b94120055ca8f16b4f1ae59_61_Co8P8H32Cl8O24 |
[
"Cl",
"Co",
"N",
"O",
"S"
] | 52 | A5B4C2DE | ClCoN5O4S2 | Cl4 Co4 N20 O16 S8 | 5 | [
1,
1,
1
] | 3 | [
[
0,
8.32457642,
0
],
[
0,
0,
8.50035718
],
[
14.50298401,
0,
0
]
] | mp-1196906 | [
[
9.717511242035552,
2.081144105,
1.48120330429007
],
[
2.466019237035553,
2.081144105,
2.7689752857099297
],
[
4.785472767964447,
6.243432315,
7.01915387570993
],
[
12.036964772964447,
6.243432315,
5.73138189429007
],
[
9.26849204068347,
2.081... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}] | [
"Co",
"Co",
"Co",
"Co",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"Cl",
"Cl",
"Cl",
"Cl",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
... | 2019-01-12 01:59:19 | [
0.07692307692307693,
0.07692307692307693,
0.38461538461538464,
0.3076923076923077,
0.15384615384615385
] | [
[
0.72320792,
0,
0
],
[
0,
0.35506482,
0
],
[
0,
0,
-1.21655385
]
] | -276.699755 | [
-0.142,
-0.142,
-0.142,
-0.142,
-0.002,
-0.002,
-0.002,
-0.002,
0,
0,
0,
0,
0.129,
0.129,
0.129,
0.129,
0.367,
0.367,
0.367,
0.367,
0.367,
0.367,
0.367,
0.367,
-0.017,
-0.017,
-0.017,
-0.017,
-0.017,
-0.017,
-0.017,
-0.017,
-0.012,
-0.012,
-0.012,
... | [
[
-0.03705981,
0,
-0.02430374
],
[
-0.03705981,
0,
0.02430374
],
[
0.03705981,
0,
0.02430374
],
[
0.03705981,
0,
-0.02430374
],
[
-0.02779899,
0,
0.00738377
],
[
-0.02779899,
0,
-0.00738377
],
[
0.02779899,
0,
... | 2.712 | -0.128438 | pbe | true | abfa058c0687c95644b93fd1309853ff_62_Co4S8N20Cl4O16 |
[
"H",
"Ni",
"Th"
] | 8 | A2BC | H2NiTh | Th2 Ni2 H4 | 3 | [
1,
1,
1
] | 3 | [
[
3.502882,
0,
-1.16496562
],
[
0,
4.18929605,
0
],
[
0.23432016,
0,
6.52832186
]
] | agm005742776 | [
[
1.4254608925158008,
3.1419720375000004,
4.273049888978716
],
[
2.3117412674841993,
1.0473240125,
1.090306351021284
],
[
3.487230605481751,
1.0473240125,
4.632637671606966
],
[
0.24997155451824962,
3.1419720375000004,
0.7307185683930331
],
[
1.032... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}] | [
"Th",
"Th",
"Ni",
"Ni",
"H",
"H",
"H",
"H"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-2.323423,
0,
-0.0633509
],
[
0,
-2.4489784,
0
],
[
-0.06335072,
0,
-2.4708564
]
] | -43.470903 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00385801,
0,
-0.00381909
],
[
0.00385801,
0,
0.00381909
],
[
0.00129157,
0,
0.00612578
],
[
-0.00129157,
0,
-0.00612578
],
[
-0.00202777,
0,
-0.00407129
],
[
0.00202777,
0,
0.00407129
],
[
-0.00095512,
0,
... | 0 | 4.202283 | pbe | true | 789c7a1e1038310612a7bd354b983798_11_Th2Ni2H4 |
[
"H",
"Ni",
"Tm"
] | 80 | A12B5C3 | H5Ni3Tm12 | Tm48 Ni12 H20 | 3 | [
1,
1,
1
] | 3 | [
[
12.74211969,
0,
0
],
[
-4.24737323,
12.01338565,
0
],
[
-4.24737323,
-6.00669283,
10.40389716
]
] | agm001824601 | [
[
7.4329031525,
3.7541830149999997,
1.300487145
],
[
7.4329031525000016,
8.259202633749998,
1.300487145
],
[
-1.0618433074999998,
5.255856218749999,
6.502435725
],
[
1.0618433075000002,
-0.7508366050000002,
3.901461435
],
[
9.556589767500002,
-... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm"... | 2023-11-16 06:57:59 | [
0.25,
0.15,
0.6
] | [
[
-1.176319,
0,
0
],
[
0,
-1.176319,
0
],
[
0,
0,
-1.176319
]
] | -374.023924 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0... | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],... | 0.002048 | 71.70594 | pbe | true | 1729a08df19aec04c4d1b7174bed6bd9_230_Tm48Ni12H20 |
[
"Cl",
"Cr",
"H",
"N",
"O"
] | 46 | A14B4C3DE | Cl3CrH14N4O | Cl6 Cr2 H28 N8 O2 | 5 | [
1,
1,
1
] | 3 | [
[
6.80664447,
0,
-0.84042848
],
[
0,
10.75180947,
0
],
[
-0.13100847,
0,
6.83344049
]
] | mp-728578 | [
[
1.0846878028483384,
2.6879523675,
1.4045085799472103
],
[
5.590948197151661,
8.0638571025,
4.588503430052789
],
[
1.4101144143958309,
0.23535012062214447,
0.44870287766815353
],
[
5.26552158560417,
5.611254855622144,
5.544309132331846
],
[
5.2655... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"Cr",
"Cr",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
... | 2014-01-19 18:39:00 | [
0.13043478260869565,
0.043478260869565216,
0.6086956521739131,
0.17391304347826086,
0.043478260869565216
] | [] | -228.38794 | [
3.034,
3.034,
0.003,
0.003,
0.003,
0.003,
0.003,
0.003,
0.003,
0.003,
0.002,
0.002,
0.002,
0.002,
0.003,
0.003,
0.003,
0.003,
0.002,
0.002,
0.003,
0.003,
0.003,
0.003,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
-0.037,
-0.037,
-0.037,
-0.037,
-0.035... | [] | 5.774 | -1.200798 | pbe | true | 0fb1347003bb534cd2d68cfc6041c5f0_11_Cr2H28N8Cl6O2 |
[
"H",
"Np",
"Pu"
] | 4 | A2BC | H2NpPu | Pu1 Np1 H2 | 3 | [
1,
1,
1
] | 3 | [
[
2.8748214,
0,
0
],
[
0,
4.16924993,
0
],
[
0,
0,
4.16924993
]
] | agm001208404 | [
[
1.4374107,
2.084624965,
2.084624965
],
[
0,
0,
2.084624965
],
[
0,
2.084624965,
0
],
[
1.4374107,
0,
0
]
] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}] | [
"Np",
"H",
"H",
"Pu"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
11.557397,
0,
0
],
[
0,
12.677816,
0
],
[
0,
0,
12.677816
]
] | -32.929005 | [
-3.607,
0.002,
0.002,
5.165
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.546279 | 8.011974 | pbe | true | 9aeebf655370eccfe8482658ad0f29e3_123_Pu1Np1H2 |
[
"Cl",
"Cr",
"Hg",
"K",
"O"
] | 56 | A7B2C2D2E | Cl2Cr2HgK2O7 | Cl8 Cr8 Hg4 K8 O28 | 5 | [
1,
1,
1
] | 3 | [
[
8.35628252,
0,
-0.36177209
],
[
0,
10.64958999,
0
],
[
-0.0301138,
0,
12.7637724
]
] | mp-558517 | [
[
6.261361211020654,
1.6521957083433831,
7.780868450497369
],
[
6.266968338661944,
8.818391819764601,
4.0562592465051095
],
[
2.0592003813380564,
1.831198170235399,
8.345741063494891
],
[
2.0648075089793454,
8.997394281656618,
4.621131859502633
],
[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"Cr",
"Cr",
"Cr",
"Cr",
"Cr",
"Cr",
"Cr",
"Cr",
"Hg",
"Hg",
"Hg",
"Hg",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O... | 2014-02-27 00:48:09 | [
0.14285714285714285,
0.14285714285714285,
0.07142857142857142,
0.14285714285714285,
0.5
] | [] | -297.183158 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [] | 0 | -1.374806 | pbe | true | 4658e0ebe83389e7583556dfa63cc3d1_14_K8Cr8Hg4Cl8O28 |
[
"Cl",
"Cu",
"Dy",
"O",
"Te"
] | 44 | A6B2CDE | ClCuDyO6Te2 | Cl4 Cu4 Dy4 O24 Te8 | 5 | [
1,
1,
1
] | 3 | [
[
5.44155871,
-0.06660991,
0
],
[
-1.49945183,
9.21233854,
0
],
[
0,
0,
14.9855022
]
] | mp-554882 | [
[
2.598348164604803,
8.910560533089201,
13.680971225098688
],
[
1.3437587153951969,
0.2351680969107978,
1.304530974901314
],
[
0.5940328003951969,
4.841337366910797,
6.188220125098686
],
[
3.3480740796048027,
4.304391263089202,
8.797282074901315
],
[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Dy",
"Dy",
"Dy",
"Dy",
"Cu",
"Cu",
"Cu",
"Cu",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Te",
"Cl",
"Cl",
"Cl",
"Cl",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O... | 2014-03-06 06:28:48 | [
0.09090909090909091,
0.09090909090909091,
0.09090909090909091,
0.5454545454545454,
0.18181818181818182
] | [] | -254.816621 | [
0.005,
0.005,
0.005,
0.005,
0.605,
0.605,
0.605,
0.605,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
0.002,
-0.001,
-0.001,
-0.001,
-0.001,
0.077,
0.014,
0.016,
0.086,
0.077,
0.079,
0.077,
0.073,
0.014,
0.086,
0.073,
0.079,
0.073,
0.014,
0.079,... | [] | 3.832 | 3.138994 | pbe | true | 99781b0b2237d3bc498524461f6a0e47_14_Dy4Cu4Te8Cl4O24 |
[
"Cl",
"K",
"Na"
] | 5 | A3BC | ClKNa3 | K1 Na3 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
5.85333944,
0,
0
],
[
0,
5.85333944,
0
],
[
0,
0,
5.85333944
]
] | agm002548266 | [
[
0,
2.92666972,
0
],
[
0,
0,
2.92666972
],
[
2.92666972,
0,
0
],
[
2.92666972,
2.92666972,
2.92666972
],
[
0,
0,
0
]
] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}] | [
"Na",
"Na",
"Na",
"K",
"Cl"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.4221279,
0,
0
],
[
0,
0.4221279,
0
],
[
0,
0,
0.4221279
]
] | -9.58323 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.571751 | pbe | true | 62209f7cb19d30a5d1635908eb43ede8_221_K1Na3Cl1 |
[
"Cl",
"Cu",
"H",
"Li",
"O"
] | 44 | A4B3C2DE | Cl3CuH4LiO2 | Cl12 Cu4 H16 Li4 O8 | 5 | [
1,
1,
1
] | 3 | [
[
5.87891565,
0,
-1.94047399
],
[
0,
11.22982595,
0
],
[
0.10709874,
0,
9.31299716
]
] | mp-722280 | [
[
2.6762939675906012,
5.428872828118471,
6.941063603488801
],
[
3.3632697924093984,
11.043785803118471,
5.087958146511198
],
[
3.3097204224093986,
5.8009531218815304,
0.4314595665111981
],
[
2.6227445975906014,
0.1860401468815295,
2.2845650234888017
],
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"Li",
"Li",
"Li",
"Li",
"Cu",
"Cu",
"Cu",
"Cu",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"O",
"O",
"O",
"O",
"O",
"O",
"O... | 2014-01-06 03:00:41 | [
0.2727272727272727,
0.09090909090909091,
0.36363636363636365,
0.09090909090909091,
0.18181818181818182
] | [] | -185.315333 | [
0,
0,
0,
0,
0.496,
0.496,
0.496,
0.496,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0.099,
0.099,
0.099,
0.099,
0.092,
0.093,
0.092,
0.093,
0.186,
0.186,
0.186,
0.186,
0.002,
0.002,
0.002,
0.002,
0.001,
0.001,
0.001,
0.001
] | [] | 3.506 | 0.400688 | pbe | true | 6515ef99954cffe293f0d905ebc16ff1_14_Li4Cu4H16Cl12O8 |
[
"Cl",
"Cu",
"H",
"N",
"O"
] | 42 | A12B4C2D2E | Cl4CuH12N2O2 | Cl8 Cu2 H24 N4 O4 | 5 | [
1,
1,
1
] | 3 | [
[
7.66807719,
0,
0
],
[
0,
7.66807719,
0
],
[
0,
0,
8.11293784
]
] | mp-604996 | [
[
3.834038595,
3.834038595,
0
],
[
0,
0,
4.05646892
],
[
3.2643181730413087,
4.403759016958691,
2.536282610028345
],
[
4.403759016958691,
3.2643181730413087,
2.536282610028345
],
[
0.5697204219586911,
0.5697204219586911,
6.5927515300283455
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"Cu",
"Cu",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"N",
"N",
"N",
"N",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"O",
"O",
"O",
"O"
] | 2019-04-18 21:38:03 | [
0.19047619047619047,
0.047619047619047616,
0.5714285714285714,
0.09523809523809523,
0.09523809523809523
] | [
[
1.16521935,
0,
0
],
[
0,
1.16521935,
0
],
[
0,
0,
-3.51838782
]
] | -186.915173 | [
0.595,
0.596,
0.003,
0.003,
0.003,
0.003,
0.003,
0.003,
0.003,
0.003,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0.101,
0.101,
0.101,
0.101,
0.01,
0.01,
0.01,
0.01,
0.055,
0.054,
0.055,
0.054
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.04297256,
-0.04297256,
-0.01372672
],
[
-0.04297256,
0.04297256,
-0.01372672
],
[
-0.04297256,
-0.04297256,
-0.01372672
],
[
0.04297256,
0.04297256,
-0.01372672
],
[
-0.04297256,
0.0... | 1.877 | 0.300912 | pbe | true | 6c1da632a5502e3825d2cbe969f3cfaf_136_Cu2H24N4Cl8O4 |
[
"As",
"Ga"
] | 12 | AB | AsGa | Ga6 As6 | 2 | [
1,
1,
1
] | 3 | [
[
7.10244236,
-1.3e-7,
0
],
[
0.00000156,
6.11091358,
0
],
[
0,
0,
19.93382057
]
] | agm2000022485 | [
[
1.462595984782946,
4.345792726222105,
10.858513400866252
],
[
5.639848006241478,
1.765120723777894,
10.858513400866252
],
[
2.088626562989086,
1.2903359247635002,
9.07530716913375
],
[
5.013817285986475,
4.820577464127365,
9.07530716913375
],
[
0... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"As",
"As",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
0.5255864,
1.3e-7,
0
],
[
1.3e-7,
0.56009823,
0
],
[
0,
0,
0.04680068
]
] | -43.164597 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00360305,
-0.00477975,
0.00330173
],
[
0.00360305,
0.00477975,
0.00330173
],
[
0.00360305,
-0.00477975,
-0.00330173
],
[
-0.00360305,
0.00477975,
-0.00330173
],
[
0,
0,
-0.00760199
],
[
0,
0,
0.00760199
],
[
0.0... | 0 | 2.249774 | pbe | true | 939ebefa75a8bfa2eff68bd21e4ee9f1_18_Ga6As6 |
[
"As",
"Hg"
] | 3 | A2B | AsHg2 | Hg2 As1 | 2 | [
1,
1,
1
] | 3 | [
[
4.31736724,
0,
0
],
[
-2.15868362,
3.73894971,
0
],
[
0,
0,
4.59532323
]
] | agm003886724 | [
[
0,
0,
0
],
[
2.1586836415868365,
1.2463165575368342,
1.3753148053362048
],
[
-2.158683638915562e-8,
2.4926331524631657,
3.220008424663795
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}] | [
"As",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.6666666666666666
] | [
[
3.7659492,
0,
0
],
[
0,
3.7659492,
0
],
[
0,
0,
3.7847033
]
] | -4.611318 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00004372
],
[
0,
0,
-0.00004372
]
] | 0 | 2.13258 | pbe | true | c5eaa50ec82b3fa89f01685151cca67e_164_Hg2As1 |
[
"Cl",
"Cu",
"H",
"O",
"Zn"
] | 72 | A24B24C15D8E | Cl8Cu15H24O24Zn | Zn1 Cu15 H24 Cl8 O24 | 5 | [
1,
1,
1
] | 3 | [
[
9.25990163,
-0.01678106,
0.00087342
],
[
-1.22961407,
9.22036459,
0.00312459
],
[
-1.17650041,
-1.29553181,
9.14014442
]
] | agm003280488 | [
[
-0.614807035,
4.610182295,
0.001562295
],
[
5.4274586419432,
8.791411431105429,
2.357697313203441
],
[
8.015061220392466,
1.3702049470897701,
6.835993332271362
],
[
0.21639668171423393,
5.689198602914629,
9.13582832534144
],
[
1.4263285080568007,... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}] | [
"Zn",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"Cl",
"Cl",
"Cl"... | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.20833333333333334,
0.3333333333333333,
0.3333333333333333,
0.013888888888888888
] | [
[
0.08609211,
-0.01028525,
0.05078112
],
[
-0.01028457,
0.21613032,
0.06734263
],
[
0.05078078,
0.06734331,
0.20462076
]
] | -334.944927 | [
0.002,
-0.458,
0.483,
0.525,
-0.458,
0.483,
0.525,
0.586,
0.618,
0.558,
0.464,
-0.467,
-0.457,
0.464,
-0.467,
-0.457,
0,
-0.001,
0,
0,
-0.001,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0.001,
0,
0,
0.001,
0.001,
-0.001,
0,
0.001,
-0.001,
0,
-0.005,
... | [
[
0,
0,
0
],
[
0.0130932,
0.00537512,
-0.0317935
],
[
0.00660629,
-0.01477441,
-0.00885617
],
[
0.02865149,
-0.03041728,
-0.0223081
],
[
-0.0130932,
-0.00537512,
0.0317935
],
[
-0.00660629,
0.01477441,
0.00885617
],
[
... | 3.025667 | 7.858879 | pbe | true | e1028c4936dbdfa6bc64b20b930d2071_2_Zn1Cu15H24Cl8O24 |
[
"Cl",
"Cu",
"O",
"Pb",
"Se"
] | 44 | A8B6C5D2E | Cl5Cu6O8PbSe2 | Cl10 Cu12 O16 Pb2 Se4 | 5 | [
1,
1,
1
] | 3 | [
[
6.11203903,
0,
1.39469467
],
[
2.77619678,
9.26434112,
1.92362845
],
[
0.00408952,
0.06050519,
14.07197376
]
] | mp-643203 | [
[
5.4573118995809065,
4.9236607121471705,
4.263938252471573
],
[
1.3331008740848962,
3.0613842443358075,
8.247780366066152
],
[
7.5592244559151025,
6.263462065664192,
9.142516513933849
],
[
3.1575115078458467,
1.6145986785540989,
14.3424691713401
],
[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Cu",
"Pb",
"Pb",
"Se",
"Se",
"Se",
"Se",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"... | 2013-06-28 20:47:42 | [
0.22727272727272727,
0.2727272727272727,
0.36363636363636365,
0.045454545454545456,
0.09090909090909091
] | [] | -198.297087 | [
-0.368,
0.047,
0.047,
0.014,
0.439,
0.014,
0.439,
0.006,
-0.368,
0.439,
0.021,
0.439,
0.002,
0.002,
0.016,
0.016,
0.018,
0.018,
-0.037,
0.005,
0.01,
0.01,
0.006,
0.006,
-0.026,
-0.026,
-0.037,
0.005,
0.038,
0.038,
0.009,
0.038,
0.038,
0.038,
0.038,... | [] | 1.929 | 2.264628 | pbe | true | cc082076ff769f56527122fa357f80a1_12_Cu12Pb2Se4Cl10O16 |
[
"Cl",
"H",
"I",
"K",
"O"
] | 48 | A6B2C2DE | ClHI2K2O6 | Cl4 H4 I8 K8 O24 | 5 | [
1,
1,
1
] | 3 | [
[
15.18664778,
0,
0
],
[
0,
6.67371506,
0
],
[
0,
0,
8.77393565
]
] | mp-733853 | [
[
0.23328300774744679,
0.13163288974064483,
2.092974443618851
],
[
14.953364772252552,
6.542082170259355,
6.479942268618851
],
[
7.360040882252553,
0.13163288974064483,
6.479942268618851
],
[
7.826606897747447,
6.542082170259355,
2.092974443618851
],
[... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"H",
"H",
"H",
"H",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"I",
"Cl",
"Cl",
"Cl",
"Cl",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",... | 2014-01-16 02:44:25 | [
0.08333333333333333,
0.08333333333333333,
0.16666666666666666,
0.16666666666666666,
0.5
] | [] | -206.484734 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [] | 0 | 0.643415 | pbe | true | ec19ab27c1ca1822879b68f187180386_29_K8H4I8Cl4O24 |
[
"Cl",
"H",
"I",
"Mo",
"O"
] | 92 | A9B4C4D3E3 | Cl4H9I3Mo3O4 | Cl16 H36 I12 Mo12 O16 | 5 | [
1,
1,
1
] | 3 | [
[
18.33150319,
0,
-3.10724811
],
[
0,
10.23968656,
0
],
[
0.0642538,
0,
9.91532105
]
] | mp-699471 | [
[
9.255930155258014,
8.370779927815041,
7.424744650989171
],
[
18.305578429741985,
3.25093664781504,
-2.1702957659891715
],
[
9.139826834741985,
1.8689066321849603,
-0.6166717109891713
],
[
0.0901785602580148,
6.988749912184961,
8.97836870598917
],
[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H"... | 2014-01-19 15:04:38 | [
0.17391304347826086,
0.391304347826087,
0.13043478260869565,
0.13043478260869565,
0.17391304347826086
] | [] | -400.004756 | [
2.412,
2.412,
2.412,
2.412,
0.003,
0.003,
0.003,
0.003,
-2.414,
-2.413,
-2.414,
-2.413,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0.013,
0.013,
0.013,... | [] | 0.01 | 1.107244 | pbe | true | cf09a862c01124852def321211f3c64a_14_Mo12H36I12Cl16O16 |
[
"Al",
"W"
] | 4 | AB | AlW | Al2 W2 | 2 | [
1,
1,
1
] | 3 | [
[
3.27069473,
0,
0
],
[
0,
3.27069473,
0
],
[
0,
0,
5.83167125
]
] | agm003190355 | [
[
0,
0,
0.0072352962031625
],
[
1.635347365,
1.635347365,
1.4506825162968375
],
[
0,
0,
2.9568290081516007
],
[
1.635347365,
1.635347365,
4.3327600543484
]
] | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}] | [
"Al",
"Al",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.5,
0.5
] | [
[
6.482472,
0,
0
],
[
0,
6.482472,
0
],
[
0,
0,
6.267993
]
] | -33.837786 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00601966
],
[
0,
0,
-0.00601966
],
[
0,
0,
-0.01041494
],
[
0,
0,
0.01041494
]
] | -0 | 1.681351 | pbe | true | 341121ef77b70057912e7704f64a4208_129_Al2W2 |
[
"Cl",
"H",
"K",
"O",
"Rh"
] | 44 | A5B2C2DE | Cl5H2K2ORh | Cl20 H8 K8 O4 Rh4 | 5 | [
1,
1,
1
] | 3 | [
[
8.05557255,
0,
0
],
[
0,
9.77299196,
0
],
[
0,
0,
14.60279355
]
] | mp-703299 | [
[
6.461809098826897,
0.0562701512679312,
2.4684259939093516
],
[
5.621549726173105,
4.830225828732069,
9.769822768909352
],
[
1.5937634511731043,
4.942766131267931,
12.134367556090648
],
[
2.4340228238268966,
9.71672180873207,
4.832970781090649
],
[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"Rh",
"Rh",
"Rh",
"Rh",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"O",
"O",
... | 2013-12-23 06:19:52 | [
0.45454545454545453,
0.18181818181818182,
0.18181818181818182,
0.09090909090909091,
0.09090909090909091
] | [] | -158.490588 | [
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0,
0,
0,
0,
0,
0,
0,
0,
1.025,
1.025,
1.025,
1.025,
0.022,
0.022,
0.022,
0.022,
0.005,
0.005,
0.005,
0.005,
0,
0,
0,
0,
0.003,
0.003,
0.003,
0.003,
0.003,
0.003,
0.003,
0.003,
0.67... | [] | 6.952 | 0.932482 | pbe | true | 206e3e2a16c7bfe064165ad9b8435da7_62_K8H8Rh4Cl20O4 |
[
"Ba",
"Mg",
"Mn",
"O",
"Tl"
] | 18 | A10B3C2D2E | Ba2MgMn3O10Tl2 | Ba2 Mg1 Mn3 O10 Tl2 | 5 | [
1,
1,
1
] | 3 | [
[
3.6626807,
0.02198323,
-0.10921728
],
[
-0.00735513,
3.81206316,
-0.08035289
],
[
1.79670007,
1.95694523,
20.16644638
]
] | mp-2228371 | [
[
1.141638012153622,
1.0877766123309975,
5.090660948285607
],
[
4.316636309505852,
4.61887706423075,
15.236036310349789
],
[
4.066810513817897,
2.6570589709491568,
12.727238103411077
],
[
2.5527419983513093,
2.7553111553306993,
17.665970958100562
],
[
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}] | [
"Ba",
"Ba",
"Mg",
"Mn",
"Mn",
"Mn",
"Tl",
"Tl",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2022-04-30 10:13:29 | [
0.1111111111111111,
0.05555555555555555,
0.16666666666666666,
0.5555555555555556,
0.1111111111111111
] | [
[
-1.74817894,
-0.05818353,
0.0209852
],
[
-0.05818404,
-1.65512363,
-0.41594613
],
[
0.02098537,
-0.41594628,
-0.99142213
]
] | -109.188646 | [
0.005,
0.007,
0,
3.589,
3.623,
4.153,
0.005,
0.005,
-0.012,
0.006,
-0.108,
0.006,
-0.117,
-0.152,
-0.001,
-0.243,
0.006,
-0.13
] | [
[
-0.01301549,
-0.01225411,
0.00843348
],
[
0.03511255,
0.01128076,
0.02337784
],
[
-0.00396306,
0.01258904,
-0.01985709
],
[
0.00806653,
0.00045107,
-0.02765589
],
[
-0.00083032,
-0.00586362,
0.03752076
],
[
-0.00569436,
0.0147... | 10.642 | 2.865691 | pbe | true | 287a565b648eac76cbdc7654db06991b_1_Ba2Mg1Mn3Tl2O10 |
[
"Cl",
"H",
"Mo",
"N",
"O"
] | 66 | A14B10C6D2E | Cl14H10Mo6N2O | Cl28 H20 Mo12 N4 O2 | 5 | [
1,
1,
1
] | 3 | [
[
-4.9602318,
8.09211559,
9.88606563
],
[
4.82347319,
-8.18571493,
9.38129237
],
[
5.06698317,
8.24771777,
-9.96477263
]
] | mp-1181808 | [
[
7.491541672387269,
-2.029219234853592,
3.0937669146732105
],
[
2.5229687704206176,
2.0503305915957006,
3.4280962659995056
],
[
-2.576284042079266,
10.22845232774737,
6.054579951579735
],
[
2.400129444710231,
6.160430668947738,
5.862087065662163
],
[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"Mo",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"N",
"N",
"N",
"N",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"... | 2019-01-11 10:43:57 | [
0.42424242424242425,
0.30303030303030304,
0.18181818181818182,
0.06060606060606061,
0.030303030303030304
] | [
[
-0.64295811,
0.05333009,
-0.10900428
],
[
0.0533301,
-0.48929314,
0.51312627
],
[
-0.10900429,
0.51312624,
-0.07058346
]
] | -289.74894 | [
3.492,
3.485,
2.736,
3.478,
2.738,
2.749,
3.509,
2.769,
3.493,
3.494,
3.508,
3.484,
0,
0,
0,
0,
0,
0.001,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0.002,
0.003,
0.002,
0.002,
0.068,
0.022,
0.026,
0.03,
0.023,
0.024,
0.029,
0.025,... | [
[
0.00389668,
-0.03602898,
0.03045977
],
[
0.00192352,
0.0011246,
0.00258004
],
[
-0.00626335,
0.01847053,
0.00880771
],
[
0.00989332,
-0.0118819,
-0.027331
],
[
0.00604112,
-0.00151809,
0.01942506
],
[
0.01581308,
0.00533552,
... | 39.497 | 0.226435 | pbe | true | ad54d6011eed9a38d23cf33c940e0eda_1_Mo12H20N4Cl28O2 |
[
"Cl",
"H",
"N",
"O",
"Os"
] | 106 | A26B12C9D4E2 | Cl4H26N12O9Os2 | Cl8 H52 N24 O18 Os4 | 5 | [
1,
1,
1
] | 3 | [
[
6.22635881,
3.42233745,
-0.81832086
],
[
-6.22635881,
3.42233745,
0.81832086
],
[
-0.2318182,
0,
26.00726904
]
] | mp-707822 | [
[
-0.6141627727306855,
3.757049787092637,
20.172156364346638
],
[
0.2664354727306852,
3.7570497870926367,
18.838747195653365
],
[
0.38234457273068545,
3.087625112907363,
5.835112675653362
],
[
-0.4982536727306853,
3.087625112907363,
7.168521844346638
],
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}] | [
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"... | 2014-05-31 03:24:08 | [
0.07547169811320754,
0.49056603773584906,
0.22641509433962265,
0.16981132075471697,
0.03773584905660377
] | [] | -578.216226 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0... | [] | 0 | -0.25208 | pbe | true | 5a02f6420d97c1b498af1031f937ea14_15_H52Os4N24Cl8O18 |
[
"Al",
"W"
] | 12 | A5B | Al5W | Al5 W1 | 2 | [
1,
1,
1
] | 3 | [
[
2.587856286,
-4.413601587,
0
],
[
2.587856286,
4.413601587,
0
],
[
0,
0,
8.609497931
]
] | oqmd-8180464 | [
[
0,
0,
0
],
[
2.58786,
1.53679,
0.58598
],
[
1.32224,
-0.7797599999999998,
2.1523700000000003
],
[
3.85348,
-0.7797600000000005,
2.1523700000000003
],
[
2.58786,
1.53679,
3.71877
],
[
0,
0,
4.30475
],
[
2.58786,
... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"W",
"W"
] | 2024-11-01 00:00:00 | [
0.8333333333333334,
0.16666666666666666
] | [
[
1.55862515,
0,
0
],
[
0,
1.29825058,
0
],
[
0,
0,
3.64772047
]
] | -63.8119 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0.001,
0.001
] | [
[
0,
0,
0
],
[
0,
-0.015309,
0.041966
],
[
0.01416,
0.012623,
0
],
[
-0.01416,
0.012623,
0
],
[
0,
-0.015309,
-0.041966
],
[
0,
0,
0
],
[
0,
0.015309,
0.041966
],
[
0.01416,
-0.012623,
0
],
... | -0.011887 | null | pbe | true | d647857022674c688e6943883042bddc_63_Al10W2 |
[
"Cl",
"H",
"N",
"O",
"Pt"
] | 60 | A9B2C2DE | ClH9N2O2Pt | Cl4 H36 N8 O8 Pt4 | 5 | [
1,
1,
1
] | 3 | [
[
8.01824743,
0.00000528,
-0.39435967
],
[
0.00000294,
4.39303277,
0.00000161
],
[
0.20673514,
0.00000669,
17.8547716
]
] | mp-733598 | [
[
5.933839795253092,
1.0221088089736,
12.9349093486562
],
[
1.8213519860629785,
1.174430356669214,
4.204703809494716
],
[
2.2911383829949803,
3.3709332512704675,
4.525501514898944
],
[
6.403635240849133,
3.2186181613411473,
13.255712504454593
],
[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"Pt",
"Pt",
"Pt",
"Pt",
"N",
"N",
"N",
"N",
"N",... | 2014-01-15 22:36:50 | [
0.06666666666666667,
0.6,
0.13333333333333333,
0.13333333333333333,
0.06666666666666667
] | [] | -297.223651 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [] | 0 | 1.011657 | pbe | true | 43498cf945f9448a02bc8f79b92e6a4b_14_H36Pt4N8Cl4O8 |
[
"Cl",
"H",
"N",
"O",
"Ru"
] | 56 | A6B3C3DE | Cl3H6N3ORu | Cl12 H24 N12 O4 Ru4 | 5 | [
1,
1,
1
] | 3 | [
[
6.79399334,
0.00215275,
-0.00021103
],
[
-1.28315531,
9.93353449,
0.00021731
],
[
-0.00035898,
0.0002055,
11.64596275
]
] | mp-553901 | [
[
2.824342349566861,
1.7150857557121062,
4.709075153804959
],
[
4.073408954826153,
1.419061553571192,
1.3037022949759356
],
[
-0.07546261596351467,
5.742088632864686,
2.9857786369176007
],
[
-0.06935127792624204,
3.2529730780648425,
10.532298852562002
],... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"Ru",
"H",
"H",
"H",
"H",
"H",
"Ru",
"H",
"H",
"H",
"H",
"H",
"H",
"Ru",
"Ru",
"H",
"H",
"H",
"H",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"Cl",
"Cl",
"Cl",
"Cl",
... | 2014-03-07 08:34:46 | [
0.21428571428571427,
0.42857142857142855,
0.21428571428571427,
0.07142857142857142,
0.07142857142857142
] | [] | -290.056948 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [] | 0 | 0.146186 | pbe | true | 6accad88b22feef94ae4ce1b19324b86_14_H24Ru4N12Cl12O4 |
[
"H",
"O",
"Si"
] | 5 | A3BC | HOSi3 | Si3 H1 O1 | 3 | [
1,
1,
1
] | 3 | [
[
4.20290877,
0,
0
],
[
0,
4.20290877,
0
],
[
0,
0,
4.20290877
]
] | agm002494229 | [
[
2.101454385,
2.101454385,
2.101454385
],
[
0,
2.101454385,
0
],
[
0,
0,
2.101454385
],
[
2.101454385,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}] | [
"H",
"Si",
"Si",
"Si",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
-0.51326007,
0,
0
],
[
0,
-0.51326007,
0
],
[
0,
0,
-0.51326007
]
] | -20.376306 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.953444 | pbe | true | 2c17500a525c74f16a9faa426b31ea6c_221_Si3H1O1 |
[
"H",
"O",
"Ta"
] | 26 | A7B4C2 | H4O7Ta2 | Ta4 H8 O14 | 3 | [
1,
1,
1
] | 3 | [
[
7.4818693,
-0.00606274,
-0.02029333
],
[
0.03792934,
7.48177562,
-0.02029333
],
[
3.59078436,
3.56973294,
5.4199754
]
] | agm003233742 | [
[
5.532106600717912,
1.8861028933735746,
2.5162725954012353
],
[
5.657925291899869,
5.625652753087708,
2.576166167843269
],
[
3.7139902068292945,
7.30578751869788,
5.226260295401235
],
[
7.454215211059045,
7.4096161897814925,
5.28615386784327
],
[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}] | [
"Ta",
"Ta",
"Ta",
"Ta",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.3076923076923077,
0.5384615384615384,
0.15384615384615385
] | [
[
0.76508725,
0.04767589,
-0.10423204
],
[
0.04767589,
0.76452655,
-0.10362097
],
[
-0.10423197,
-0.10362089,
0.77816665
]
] | -195.545509 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00121261,
-0.00176578,
-0.00167333
],
[
-0.00247939,
0.00239046,
0.00088051
],
[
-0.00177288,
-0.00120221,
-0.00167333
],
[
0.00237584,
-0.0024934,
0.00088051
],
[
-0.00296769,
-0.00501704,
0.00311287
],
[
-0.00015808,
-0.0... | 0.000054 | 0 | pbe | true | a1bb23a759415c339405f17b7bf902c0_9_Ta4H8O14 |
[
"Cl",
"Hg",
"K",
"O",
"S"
] | 76 | A6B5C3D3E2 | Cl5Hg3K3O6S2 | Cl20 Hg12 K12 O24 S8 | 5 | [
1,
1,
1
] | 3 | [
[
6.1385588,
0,
0
],
[
0,
12.58652963,
0
],
[
0,
0,
22.75847549
]
] | mp-560777 | [
[
4.603919100000001,
1.6890482109101832,
11.144185706706976
],
[
1.5346397,
1.5887785036698623,
22.71252248662961
],
[
1.5346397,
4.643105078822331,
3.025390656550993
],
[
1.5346397,
7.982313025910182,
0.23505203829302387
],
[
1.5346397,
10.897... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}] | [
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
... | 2014-03-06 15:46:20 | [
0.2631578947368421,
0.15789473684210525,
0.15789473684210525,
0.3157894736842105,
0.10526315789473684
] | [] | -301.565738 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0... | [] | 0 | 0.727512 | pbe | true | 607c88486086614af9367022fc359533_62_K12Hg12S8Cl20O24 |
[
"Ba",
"O",
"Pr",
"Sr",
"Ti"
] | 20 | A6BCDE | BaO6PrSrTi | Ba2 Sr2 Pr2 Ti2 O12 | 5 | [
1,
1,
1
] | 3 | [
[
6.02842018,
0.0096083,
-0.01541838
],
[
0.01012641,
6.05597959,
-0.0062971
],
[
-0.10572643,
-0.08927989,
8.51303905
]
] | agm005283908 | [
[
3.0279969910700077,
3.15083305934172,
2.1158991113773116
],
[
2.9048231689299926,
2.82547494065828,
6.375424458622688
],
[
5.916458504801735,
0.2038925551550587,
2.1471553977440188
],
[
0.01636165519826432,
5.772415444844941,
6.344168172255981
],
[
... | [{"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}] | [
"Ba",
"Ba",
"Sr",
"Sr",
"Pr",
"Pr",
"Ti",
"Ti",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.1,
0.1,
0.1
] | [
[
0.5750489,
0.00032872,
-0.04726956
],
[
0.0003287,
0.59157276,
-0.01680675
],
[
-0.04726949,
-0.01680678,
0.5875389
]
] | -148.11819 | [
0.002,
0.002,
-0.001,
-0.001,
-0.012,
-0.01,
-0.057,
-0.051,
0.156,
0.134,
0.156,
0.134,
0.168,
0.17,
0.168,
0.17,
0.189,
0.16,
0.189,
0.16
] | [
[
0.00167825,
0.00103119,
-0.00021649
],
[
-0.00167825,
-0.00103119,
0.00021649
],
[
-0.00081206,
0.00011935,
0.00002683
],
[
0.00081206,
-0.00011935,
-0.00002683
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
... | 2.216966 | 17.124342 | pbe | true | 4340bb143ea43c1fc7f798b42cf610e9_2_Ba2Sr2Pr2Ti2O12 |
[
"Cl",
"K",
"Na",
"O",
"S"
] | 48 | A6B2C2DE | ClK2NaO6S2 | Cl4 K8 Na4 O24 S8 | 5 | [
1,
1,
1
] | 3 | [
[
5.67074689,
0,
0
],
[
0,
12.32220551,
-1e-8
],
[
0,
1e-8,
12.32220551
]
] | mp-560773 | [
[
2.7367399894584117,
12.324071094967953,
3.7628785877460684
],
[
2.7367399894584117,
2.3982241672539306,
12.324071089967951
],
[
2.9340069005415885,
-0.0018655749679518999,
8.559326912253931
],
[
2.7367399894584117,
6.159237175032048,
2.398224152253931
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}] | [
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"Na",
"Na",
"Na",
"Na",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"Cl",
"Cl",
"Cl",
"Cl",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
... | 2014-03-07 04:35:27 | [
0.08333333333333333,
0.16666666666666666,
0.08333333333333333,
0.5,
0.16666666666666666
] | [] | -254.511223 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [] | 0 | 0.486457 | pbe | true | 8a2e6561b6a230d83efa982998852f9b_85_K8Na4S8Cl4O24 |
[
"Cl",
"K",
"Np",
"O",
"S"
] | 36 | A10B4C2DE | ClK4NpO10S2 | Cl2 K8 Np2 O20 S4 | 5 | [
1,
1,
1
] | 3 | [
[
4.58222923,
0,
0
],
[
0,
9.96146491,
-2.36362167
],
[
0,
0.00149392,
14.53522009
]
] | mp-553977 | [
[
3.5018026748624975,
5.589518994174045,
4.392974773653928
],
[
1.0455922652418739,
5.627416387166228,
0.555473326849212
],
[
1.080426555137503,
0.6095334991740458,
12.842395653653927
],
[
1.080426555137503,
4.3734398358259545,
7.778623646346072
],
[
... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}] | [
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"K",
"Np",
"Np",
"S",
"S",
"S",
"S",
"Cl",
"Cl",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-03-06 05:10:46 | [
0.05555555555555555,
0.2222222222222222,
0.05555555555555555,
0.5555555555555556,
0.1111111111111111
] | [] | -227.862169 | [
0,
0,
0,
0,
0,
0,
0,
0,
2.142,
2.142,
0.001,
0.001,
0.001,
0.001,
0,
0,
-0.001,
-0.002,
-0.073,
-0.002,
-0.006,
-0.001,
-0.002,
-0.001,
-0.006,
0.001,
0.001,
0.001,
-0.006,
-0.006,
-0.001,
-0.073,
0.001,
-0.073,
-0.073,
-0.002
] | [] | 3.964 | 2.257289 | pbe | true | 8719ac6dbee4c4eb1a58de58f71984d8_13_K8Np2S4Cl2O20 |
[
"Cl",
"Mo",
"O",
"Se",
"Zr"
] | 54 | A14B8C2D2E | Cl14Mo2O2Se8Zr | Cl28 Mo4 O4 Se16 Zr2 | 5 | [
1,
1,
1
] | 3 | [
[
7.39241073,
0,
0
],
[
0,
13.48610319,
-3.42087596
],
[
0,
-0.00903879,
15.69774794
]
] | mp-560057 | [
[
0,
0,
0
],
[
3.696205365,
-0.004519395,
7.84887397
],
[
2.2749622856618537,
6.0115736408671525,
12.634947845042344
],
[
5.971167650661853,
7.460971364132846,
7.490798104957656
],
[
5.117448444338147,
7.465490759132846,
-0.3580758650423445... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}] | [
"Zr",
"Zr",
"Mo",
"Mo",
"Mo",
"Mo",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl",
"Cl"... | 2014-02-18 04:58:04 | [
0.5185185185185185,
0.07407407407407407,
0.07407407407407407,
0.2962962962962963,
0.037037037037037035
] | [] | -215.500666 | [
0.001,
0.001,
1.01,
1.01,
1.01,
1.01,
0.001,
0.001,
0.006,
0.001,
0.001,
0.006,
0.001,
0.005,
0.001,
0.005,
0.005,
0.006,
0.005,
0.001,
0.006,
0.001,
0.011,
0.009,
0.001,
0.001,
0.001,
0.001,
0.001,
0.005,
0,
0.001,
0.009,
0.001,
0,
0.001,
0.00... | [] | 3.818 | -0.177865 | pbe | true | 0dc01605614d89de1c65d1ec1a037ea5_14_Zr2Mo4Se16Cl28O4 |
[
"H",
"O",
"U"
] | 14 | A4B2C | H2O4U | U2 H4 O8 | 3 | [
1,
1,
1
] | 3 | [
[
2.12191711,
-5.17794372,
0
],
[
2.12191711,
5.17794372,
0
],
[
0,
0,
6.96365961
]
] | agm005236862 | [
[
0,
0,
0
],
[
2.12191711,
0,
3.481829805
],
[
2.12191711,
1.7125078507246874,
0.9956467115253711
],
[
2.12191711,
-1.7125078507246874,
5.968012898474629
],
[
2.12191711,
3.4654358692753124,
4.477476516525371
],
[
2.12191711,
-3... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}] | [
"U",
"U",
"H",
"H",
"H",
"H",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.5714285714285714,
0.14285714285714285
] | [
[
0.61250687,
0,
0
],
[
0,
0.06705046,
0
],
[
0,
0,
0.49345022
]
] | -105.717778 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
-0.00578654,
0.00320583
],
[
0,
0.00578654,
-0.00320583
],
[
0,
0.00578654,
0.00320583
],
[
0,
-0.00578654,
-0.00320583
],
[
0,
0.00266134,
0.00017832
],
[
0,
-0.002... | 0.000001 | 0 | pbe | true | 2b4bdf3aebd4d5e6f5062b5669a920ae_64_U2H4O8 |
[
"Cl",
"Na",
"O",
"Pb",
"S"
] | 84 | A12B3C3D2E | ClNa3O12Pb2S3 | Cl4 Na12 O48 Pb8 S12 | 5 | [
1,
1,
1
] | 3 | [
[
0,
0,
-7.14330118
],
[
5.02136774,
-8.66713425,
0
],
[
-15.06569142,
-8.66537134,
0
]
] | mp-1223492 | [
[
3.610421105664951,
-6.390597797263784,
-5.338129610981194
],
[
-13.65474478566495,
-10.941907792736217,
-1.7664790209811942
],
[
-6.287768403639747,
-11.005483379395548,
-5.374188138141692
],
[
-3.7565552763602534,
-6.3270222106044525,
-1.802537548141692... | [{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}] | [
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"Pb",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"Cl",
"Cl",
"Cl",
"Cl",
"O",
"O",
"O",
"O",
"O",
"O",
... | 2019-01-12 23:52:46 | [
0.047619047619047616,
0.14285714285714285,
0.5714285714285714,
0.09523809523809523,
0.14285714285714285
] | [
[
0.30943583,
0.23935639,
0
],
[
0.23935622,
-0.20096866,
0
],
[
0,
0,
-1.63243729
]
] | -476.019576 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0... | [
[
-0.01609189,
-0.02145697,
-0.00112814
],
[
0.01609189,
0.02145697,
-0.00112814
],
[
0.02955248,
-0.00457682,
0.00025341
],
[
-0.02955248,
0.00457682,
0.00025341
],
[
-0.01206196,
-0.00940134,
-0.00394347
],
[
0.01206196,
0.009... | 0 | 1.613361 | pbe | true | 0a9ab6377e949c1f06f8100ca00f0b40_4_Na12Pb8S12Cl4O48 |
[
"Bi",
"Pt",
"S"
] | 12 | A3B2C | BiPt2S3 | Bi2 Pt4 S6 | 3 | [
1,
1,
1
] | 3 | [
[
6.28789129,
0.00000115,
3.60341169
],
[
2.11143961,
5.92278651,
3.6034117
],
[
0.0982937,
0.06931192,
7.11630706
]
] | agm005851659 | [
[
1.857790273087196,
1.310020738228708,
4.046029108011629
],
[
6.639834326912804,
4.6820788417712915,
10.27710134198837
],
[
0,
0,
0
],
[
3.143945645,
5.75e-7,
1.801705845
],
[
4.19966545,
2.96139383,
3.603411695
],
[
1.055719805,
... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Bi",
"Bi",
"Pt",
"Pt",
"Pt",
"Pt",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.3333333333333333,
0.5
] | [
[
1.673096,
0.02038066,
-0.05043228
],
[
0.02038066,
1.6585647,
-0.03556229
],
[
-0.05043228,
-0.03556229,
1.732195
]
] | -60.001679 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00157248,
0.00110884,
-0.00274395
],
[
-0.00157248,
-0.00110884,
0.00274395
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00314485,
0.00125891,
-0.00391195
],
[
-0.00224183,
-0.00... | 0 | 4.788921 | pbe | true | 7214e2166c87a90795613f9c42027a7b_166_Bi2Pt4S6 |
[
"Co",
"Cr",
"Fe",
"O",
"P"
] | 36 | A24B6C3D2E | CoCr2Fe3O24P6 | Co1 Cr2 Fe3 O24 P6 | 5 | [
1,
1,
1
] | 3 | [
[
8.36079231,
-0.14060267,
-0.09924268
],
[
4.08909238,
7.29396584,
-0.0992427
],
[
4.08909236,
2.34948067,
6.90591918
]
] | mp-776058 | [
[
0.0017590855990380003,
0.0010107224708224,
0.000713402658968
],
[
8.259730693930273,
4.745815337162839,
3.349759581132338
],
[
2.3990634660547667,
1.3784362485808994,
0.972947681825394
],
[
5.844910544439969,
3.3583257292555713,
2.370421727125684
],
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Cr",
"Cr",
"Fe",
"Fe",
"Fe",
"Co",
"P",
"P",
"P",
"P",
"P",
"P",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-21 07:45:33 | [
0.027777777777777776,
0.05555555555555555,
0.08333333333333333,
0.6666666666666666,
0.16666666666666666
] | [] | -257.277205 | [
3.022,
3.011,
4.392,
4.384,
4.386,
0.057,
0.014,
0.014,
0.014,
0.02,
0.02,
0.02,
0.084,
0.085,
0.045,
0.084,
0.001,
0.036,
0.045,
0.036,
0.088,
0.038,
-0.012,
0.089,
0.002,
0.044,
0.04,
0.002,
0.039,
-0.012,
0.038,
0.089,
0.095,
-0.012,
0.096,
0.... | [] | 20.49 | 1.667113 | pbe | true | b08a17991de4307a4347d1bb4dc8bd48_146_Cr2Fe3Co1P6O24 |
[
"Co",
"Cr",
"Li",
"O",
"Sb"
] | 28 | A16B4C3D3E2 | Co2Cr3Li4O16Sb3 | Co2 Cr3 Li4 O16 Sb3 | 5 | [
1,
1,
1
] | 3 | [
[
6.09563203,
-0.01913205,
0.01779959
],
[
-3.06438227,
5.30817916,
-0.00022168
],
[
0.02990057,
0.01685225,
9.85669994
]
] | mp-764773 | [
[
0.05382064722491575,
3.5694338276770514,
8.878222248774284
],
[
0.08929273555746071,
0.05154073399792809,
0.0562541136685744
],
[
0.117503597823111,
0.0677371813787574,
4.836022217720741
],
[
3.0771134758044427,
1.7766662267889928,
3.6873356138816678
]... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"Li",
"Li",
"Li",
"Li",
"Cr",
"Cr",
"Cr",
"Co",
"Co",
"Sb",
"Sb",
"Sb",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-14 18:40:08 | [
0.07142857142857142,
0.10714285714285714,
0.14285714285714285,
0.5714285714285714,
0.10714285714285714
] | [] | -178.735416 | [
0.001,
0.004,
0.002,
0.006,
3.007,
3.007,
3.003,
2.721,
2.731,
0.027,
0.016,
0.016,
-0.001,
0.03,
-0.039,
-0.031,
-0.019,
-0.001,
0.024,
0.024,
0.033,
0.028,
-0.01,
-0.01,
-0.029,
0.024,
0.028,
0.024
] | [] | 14.616 | 4.342754 | pbe | true | 8fa5de7ad105cb8c3983ba13618d78ad_8_Li4Cr3Co2Sb3O16 |
[
"Co",
"Cr",
"Li",
"O",
"W"
] | 28 | A16B4C3D3E2 | Co3Cr3Li4O16W2 | Co3 Cr3 Li4 O16 W2 | 5 | [
1,
1,
1
] | 3 | [
[
5.94213627,
-0.00639312,
-0.02263877
],
[
-2.97656432,
5.15375708,
0.00036422
],
[
-0.03529144,
-0.01961012,
9.67363652
]
] | mp-849422 | [
[
0.002277571074505123,
3.437418386022346,
8.786437390935067
],
[
2.9062453434828805,
5.113691472415905,
9.521431049695988
],
[
2.9252929248582196,
5.123840009132944,
4.749928591515438
],
[
2.971490478095796,
1.7155121604976074,
3.8873606102863207
],
[... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Li",
"Li",
"Li",
"Li",
"Cr",
"Cr",
"Cr",
"Co",
"Co",
"Co",
"W",
"W",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-07-04 02:54:00 | [
0.10714285714285714,
0.10714285714285714,
0.14285714285714285,
0.5714285714285714,
0.07142857142857142
] | [] | -189.598141 | [
0.002,
0.005,
0.001,
0.005,
2.985,
2.985,
2.961,
0.114,
2.669,
2.669,
0.16,
0.136,
-0.002,
-0.041,
-0.039,
-0.027,
0.071,
-0.002,
-0.034,
-0.034,
-0.021,
0.014,
0.006,
0.006,
0.076,
-0.018,
0.049,
-0.018
] | [] | 14.678 | 3.129557 | pbe | true | a99377117e7ac66c4f004a1721bf49e9_8_Li4Cr3Co3W2O16 |
[
"C",
"Co",
"Na",
"O",
"Si"
] | 48 | A7B2CDE | CCoNa2O7Si | Na8 Co4 Si4 C4 O28 | 5 | [
1,
1,
1
] | 3 | [
[
5.12418211,
0.01920499,
-0.0111398
],
[
-0.18213585,
11.68461622,
-0.06580668
],
[
0.17677797,
-4.93691892,
10.58941846
]
] | agm003251289 | [
[
1.4044310613775817,
-2.9221642871404283,
9.285221140814821
],
[
1.2224464915888293,
5.388629752717671,
3.958383080238827
],
[
1.221345091794698,
3.7130627798300204,
1.3434925579509795
],
[
1.220446588108221,
7.086949115631172,
6.606293128197664
],
[
... | [{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}] | [
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Na",
"Co",
"Co",
"Co",
"Co",
"Si",
"Si",
"Si",
"Si",
"C",
"C",
"C",
"C",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
... | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.08333333333333333,
0.16666666666666666,
0.5833333333333334,
0.08333333333333333
] | [
[
0.6977955,
0.13234296,
-0.03978528
],
[
0.13234298,
0.88655233,
-0.10577997
],
[
-0.0397852,
-0.10577998,
0.84001756
]
] | -308.847734 | [
0,
0,
0,
0,
0,
0,
0,
0,
3.061,
3.061,
3.061,
3.061,
0.014,
0.014,
0.014,
0.014,
-0.024,
-0.024,
-0.024,
-0.024,
0.259,
0.259,
0.259,
0.259,
0.289,
0.289,
0.289,
0.289,
0.317,
0.317,
0.317,
0.317,
0.157,
0.157,
0.157,
0.157,
0.185,
0.185,
0.... | [
[
-0.00044327,
0.00168883,
0.00333319
],
[
0.00025078,
0.00257184,
0.00216417
],
[
0.00007933,
-0.00106548,
-0.00195208
],
[
-0.00015205,
-0.00124654,
-0.0031326
],
[
0.00026337,
0.00168209,
0.00173088
],
[
0.00005822,
0.0007094... | 20.001987 | 4.399127 | pbe | true | 86f26b8bf94966a5e119713302c65e9a_11_Na8Co4Si4C4O28 |
[
"Co",
"Cu",
"Fe",
"Li",
"O"
] | 28 | A16B4C3D3E2 | Co3Cu2Fe3Li4O16 | Co3 Cu2 Fe3 Li4 O16 | 5 | [
1,
1,
1
] | 3 | [
[
5.8033008,
0.01173399,
-0.01731209
],
[
-2.89160678,
5.0049589,
-0.0113345
],
[
-0.02594917,
-0.03529733,
9.55001337
]
] | mp-776391 | [
[
-0.051557754157756416,
3.278497356568067,
8.572632994120083
],
[
0.04515945868406849,
0.004750431683903995,
9.52036137012517
],
[
0.07705379535756719,
0.0378070048429976,
4.726172285250888
],
[
2.840284572518178,
1.6323937033491638,
3.768842982959588
]... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"Li",
"Li",
"Li",
"Li",
"Fe",
"Fe",
"Fe",
"Co",
"Co",
"Co",
"Cu",
"Cu",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-22 10:08:41 | [
0.10714285714285714,
0.07142857142857142,
0.10714285714285714,
0.14285714285714285,
0.5714285714285714
] | [] | -158.888908 | [
0.004,
0.009,
0.002,
0.004,
4.187,
4.164,
4.109,
0.987,
0.989,
1.021,
-0.752,
-0.752,
-0.025,
-0.195,
-0.032,
-0.036,
0.03,
-0.018,
-0.099,
-0.089,
-0.013,
-0.087,
-0.12,
-0.14,
0.062,
-0.021,
-0.157,
-0.023
] | [] | 13.009 | 2.05592 | pbe | true | 217dcbeb6ed1ef39befd01c21be6fbca_1_Li4Fe3Co3Cu2O16 |
[
"Bi",
"Pt",
"Sn"
] | 10 | A5B4C | Bi5Pt4Sn | Sn1 Bi5 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
4.33287921,
0,
0
],
[
0,
7.04090016,
-1.41523988
],
[
-2.16643961,
-2.41063963,
8.9294764
]
] | agm003655825 | [
[
2.166439605,
0,
0
],
[
2.166439623179172,
3.5417474711904453,
5.174594793340283
],
[
2.1664396018431744,
-0.002345802977292712,
5.332306099351561
],
[
-1.8431747384208874e-9,
4.632606332977292,
2.18193042064844
],
[
2.166439605,
3.52045008,
... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Sn",
"Bi",
"Bi",
"Bi",
"Bi",
"Bi",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.5,
0.4,
0.1
] | [
[
2.5182247,
0,
0
],
[
0,
2.4308953,
-0.12138743
],
[
0,
-0.12138747,
2.3382134
]
] | -49.602199 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0.0029136,
-0.00177721
],
[
0,
0.00195383,
0.00433443
],
[
0,
-0.00195383,
-0.00433443
],
[
0,
0,
0
],
[
0,
-0.0029136,
0.00177721
],
[
0,
0.00282425,
0.00826574
],
[
0,
0.007589... | 0 | 4.402331 | pbe | true | 39d137048c77f5ad2ef0037831acdc78_12_Sn1Bi5Pt4 |
[
"Co",
"Cu",
"Li",
"Mn",
"O"
] | 28 | A16B4C3D3E2 | Co3Cu3Li4Mn2O16 | Co3 Cu3 Li4 Mn2 O16 | 5 | [
1,
1,
1
] | 3 | [
[
5.78771497,
0.02833244,
0.07409175
],
[
-2.86958372,
4.96995782,
-0.00006774
],
[
0.11746969,
0.06782534,
9.29505426
]
] | mp-758211 | [
[
0.09160994410926611,
3.3641878000219836,
8.356395429323046
],
[
3.032175586654479,
5.0632099994685,
9.315788398524779
],
[
2.964389468796752,
5.026459366829688,
4.669058797306785
],
[
2.988800822924276,
1.7272540688755893,
3.7856002222549336
],
[
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"Li",
"Li",
"Li",
"Li",
"Mn",
"Mn",
"Co",
"Co",
"Co",
"Cu",
"Cu",
"Cu",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-13 13:37:58 | [
0.10714285714285714,
0.10714285714285714,
0.14285714285714285,
0.07142857142857142,
0.5714285714285714
] | [] | -159.935754 | [
-0.001,
0.003,
0.005,
0.006,
3.197,
3.371,
1.102,
0.021,
0.023,
0.625,
0.634,
-0.546,
-0.136,
0.214,
0.171,
0.12,
-0.066,
-0.137,
0.107,
0.107,
0.06,
-0.008,
-0.214,
-0.217,
-0.067,
0.112,
-0.059,
0.111
] | [] | 8.538 | 2.623612 | pbe | true | 0c3ffac7feb9f2a6d33839cac25c062c_8_Li4Mn2Co3Cu3O16 |
[
"Bi",
"Pt",
"Tb"
] | 4 | A2BC | BiPtTb2 | Tb2 Bi1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
4.31844648,
0,
0
],
[
2.15922324,
3.73988436,
0
],
[
2.15922324,
1.24662812,
6.97882077
]
] | agm001931847 | [
[
2.1592254208154724,
1.2466293790944012,
1.501418615283261
],
[
6.4776675391845275,
3.739883100905599,
5.477402154716739
],
[
4.31844648,
2.49325624,
3.489410385
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Tb",
"Tb",
"Bi",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.0933735,
0,
0
],
[
0,
1.0933735,
0
],
[
0,
0,
0.9949913
]
] | -22.805484 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00130755
],
[
0,
0,
0.00130755
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000016 | 2.402604 | pbe | true | 6dcb7998440ba3528ba9c4baad7bf8c5_166_Tb2Bi1Pt1 |
[
"Co",
"Dy",
"O",
"S",
"Te"
] | 21 | A14B2C2D2E | CoDy2O14S2Te2 | Co1 Dy2 O14 S2 Te2 | 5 | [
1,
1,
1
] | 3 | [
[
5.06800255,
0.01436974,
1.5550399
],
[
-0.4498842,
7.1285405,
3.41850466
],
[
-0.01822322,
0.02582783,
8.20041393
]
] | mp-1190177 | [
[
4.282188993832181,
5.368618694209388,
12.04682278836121
],
[
0.3177061361678197,
1.8001193757906115,
1.1271357016387897
],
[
-0.00911161,
0.012913915,
4.100206965
],
[
2.104516894319281,
5.2121728611507985,
8.674598112882276
],
[
2.49537823568071... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Dy",
"Dy",
"Co",
"Te",
"Te",
"S",
"S",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2019-01-11 20:45:06 | [
0.047619047619047616,
0.09523809523809523,
0.6666666666666666,
0.09523809523809523,
0.09523809523809523
] | [
[
-0.51459059,
0.1104851,
-0.982176
],
[
0.1104851,
-3.19671647,
0.57971608
],
[
-0.98217603,
0.57971611,
0.60056083
]
] | -137.85221 | [
0.004,
0.004,
2.722,
0.002,
0.002,
0.003,
0.003,
0.003,
0.003,
0.02,
0.02,
0.002,
0.002,
0,
0,
0.003,
0.003,
0.037,
0.037,
0.035,
0.035
] | [
[
0.09092724,
0.04110456,
0.00806349
],
[
-0.09092724,
-0.04110456,
-0.00806349
],
[
0,
0,
0
],
[
-0.00246648,
-0.01268123,
-0.04754282
],
[
0.00246648,
0.01268123,
0.04754282
],
[
0.06503064,
0.00450132,
-0.15872693
],
... | 2.94 | 2.586519 | pbe | true | c79d3388dc0db22241a6da37d5f9b789_2_Dy2Co1Te2S2O14 |
[
"Bi",
"Rb",
"Sn"
] | 5 | A3BC | Bi3RbSn | Rb1 Sn1 Bi3 | 3 | [
1,
1,
1
] | 3 | [
[
6.05423515,
0,
0
],
[
0,
6.05423515,
0
],
[
0,
0,
6.05423515
]
] | agm002576874 | [
[
0,
3.027117575,
0
],
[
0,
0,
3.027117575
],
[
3.027117575,
0,
0
],
[
0,
0,
0
],
[
3.027117575,
3.027117575,
3.027117575
]
] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Bi",
"Bi",
"Bi",
"Rb",
"Sn"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
1.037355,
0,
0
],
[
0,
1.037355,
0
],
[
0,
0,
1.037355
]
] | -10.494687 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.225841 | pbe | true | a47972c34ea0797a29a436196be80de4_221_Rb1Sn1Bi3 |
[
"Co",
"Eu",
"Li",
"O",
"Sr"
] | 11 | A6B2CDE | Co2EuLiO6Sr | Sr1 Li1 Eu1 Co2 O6 | 5 | [
1,
1,
1
] | 3 | [
[
3.6566462,
0,
0
],
[
0,
4.6534862,
0
],
[
0,
0,
7.6492186
]
] | agm005240913 | [
[
0,
0,
3.8246093
],
[
0,
2.3267431,
0
],
[
0,
0,
0
],
[
1.8283231,
2.3267431,
1.9642742825824462
],
[
1.8283231,
2.3267431,
5.684944317417554
],
[
1.8283231,
0,
1.743957434379388
],
[
1.8283231,
0,
5.9052611... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}] | [
"Sr",
"Li",
"Eu",
"Co",
"Co",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.09090909090909091,
0.09090909090909091,
0.5454545454545454,
0.09090909090909091
] | [
[
0.7794904,
0,
0
],
[
0,
0.8145634,
0
],
[
0,
0,
0.7836008
]
] | -70.687684 | [
-0.001,
0.025,
6.544,
2.485,
2.485,
-0.049,
-0.049,
-0.012,
0.048,
0.174,
0.174
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00237505
],
[
0,
0,
0.00237505
],
[
0,
0,
0.00114623
],
[
0,
0,
-0.00114623
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
... | 12.0085 | 8.124696 | pbe | true | 1ec55567a54cc87de12ada172a53b33b_47_Sr1Li1Eu1Co2O6 |
[
"Co",
"Eu",
"O",
"Sr",
"Tb"
] | 40 | A6BCDE | CoEuO6SrTb | Co4 Eu4 O24 Sr4 Tb4 | 5 | [
1,
1,
1
] | 3 | [
[
9.38578096,
0,
0
],
[
0,
9.35747748,
0
],
[
0,
0,
9.41178221
]
] | mp-1518694 | [
[
0,
4.67873874,
4.705891105
],
[
4.69289048,
0,
4.705891105
],
[
4.69289048,
4.67873874,
0
],
[
4.69289048,
0,
0
],
[
2.351514781869925,
2.3331954935082457,
2.349381310577073
],
[
7.034266178130076,
7.024281986491754,
2.349... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}] | [
"Sr",
"Sr",
"Sr",
"Sr",
"Tb",
"Tb",
"Tb",
"Tb",
"Eu",
"Eu",
"Eu",
"Eu",
"Co",
"Co",
"Co",
"Co",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2020-05-08 09:18:02 | [
0.1,
0.1,
0.6,
0.1,
0.1
] | [
[
-147.33591908,
0,
0
],
[
0,
-214.50763267,
0
],
[
0,
0,
-150.62335875
]
] | -253.421238 | [
0.011,
0.009,
0.008,
0.006,
0.046,
0.046,
0.046,
0.046,
-1.757,
-6.921,
-1.755,
-6.923,
-1.013,
-1.013,
-1.013,
-1.013,
-0.042,
-0.042,
-0.042,
-0.042,
-0.052,
-0.052,
-0.052,
-0.052,
-0.07,
-0.07,
-0.07,
-0.07,
0.009,
0.009,
0.009,
0.009,
-0.057,
-0... | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.09188118,
0.17670476,
0.11356505
],
[
0.09188118,
-0.17670476,
0.11356505
],
[
0.09188118,
0.17670476,
-0.11356505
],
[
-0.09188118,
-0.176... | -22.242 | 0.28207 | pbe | true | f170e7add4fe5b5e9b2155083b7e8a4e_16_Sr4Tb4Eu4Co4O24 |
[
"Au",
"Co",
"In"
] | 4 | A2BC | Au2CoIn | In1 Co1 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.25499486,
3.25499486
],
[
3.25499486,
0,
3.25499486
],
[
3.25499486,
3.25499486,
0
]
] | agm002663510 | [
[
0,
0,
0
],
[
1.62749743,
1.62749743,
1.62749743
],
[
4.88249229,
4.88249229,
4.88249229
],
[
3.25499486,
3.25499486,
3.25499486
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Co",
"Au",
"Au",
"In"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
5.3606553,
0,
0
],
[
0,
5.3606553,
0
],
[
0,
0,
5.3606553
]
] | -15.850825 | [
1.572,
-0.006,
-0.006,
-0.011
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.527869 | 4.165418 | pbe | true | 6141b03bdff891c0f9792d7b96f86441_225_In1Co1Au2 |
[
"Co",
"F",
"Li",
"O",
"P"
] | 72 | A4B2CDE | CoFLi2O4P | Co8 F8 Li16 O32 P8 | 5 | [
1,
1,
1
] | 3 | [
[
5.13051462,
0,
0
],
[
0,
12.97056858,
0
],
[
0,
0,
11.36874285
]
] | mp-770624 | [
[
1.1469814398074338,
3.1213085721013325,
2.028323787351912
],
[
1.1469814398074338,
9.849260007898668,
7.712695212351912
],
[
1.2021736177989844,
8.181917801608598,
4.539499684154739
],
[
1.2021736177989844,
4.7886507783914025,
10.22387110915474
],
[
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Li",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
... | 2014-02-17 20:13:17 | [
0.1111111111111111,
0.1111111111111111,
0.2222222222222222,
0.4444444444444444,
0.1111111111111111
] | [] | -446.133024 | [
0.001,
0.001,
0,
0,
0,
0,
0.001,
0.001,
0.001,
0.001,
0,
0,
0,
0,
0.001,
0.001,
2.746,
2.746,
2.746,
2.746,
2.746,
2.746,
2.746,
2.746,
0.006,
0.006,
0.006,
0.006,
0.006,
0.006,
0.006,
0.006,
0.034,
0.034,
0.054,
0.054,
0.008,
0.008,
0.036,... | [] | 23.492 | 2.626215 | pbe | true | 8f9bcaf847143847f793c13d91181cbf_60_Li16Co8P8O32F8 |
[
"Au",
"Cr",
"Cu"
] | 4 | A2BC | Au2CrCu | Cr1 Cu1 Au2 | 3 | [
1,
1,
1
] | 3 | [
[
3.77892625,
0,
0
],
[
0,
4.12355121,
0
],
[
0,
0,
4.12355121
]
] | agm002207169 | [
[
0,
0,
0
],
[
1.889463125,
0,
2.061775605
],
[
1.889463125,
2.061775605,
0
],
[
0,
2.061775605,
2.061775605
]
] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Cr",
"Au",
"Au",
"Cu"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.787281,
0,
0
],
[
0,
-2.404345,
0
],
[
0,
0,
-2.404345
]
] | -19.954429 | [
3.653,
0.176,
0.108,
0.117
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.43129 | 1.838485 | pbe | true | 9f1cfe3a28053031526350be51538038_123_Cr1Cu1Au2 |
[
"Co",
"Fe",
"Li",
"O",
"Sb"
] | 28 | A16B4C3D3E2 | Co3Fe3Li4O16Sb2 | Co3 Fe3 Li4 O16 Sb2 | 5 | [
1,
1,
1
] | 3 | [
[
5.88304111,
-0.00182082,
-0.05344589
],
[
-2.94310062,
5.09731212,
0.00012014
],
[
-0.08633663,
-0.04962133,
9.59482072
]
] | mp-758042 | [
[
-0.12467566120000814,
3.3263126364932503,
8.668347208056076
],
[
-0.035314849051159,
-0.019783626471441794,
9.520685512930603
],
[
0.0241512805966291,
0.014086325959576002,
4.70407793230589
],
[
2.868098843932314,
1.6560536624660966,
3.7910489495804223
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"Li",
"Li",
"Li",
"Li",
"Fe",
"Fe",
"Fe",
"Co",
"Co",
"Co",
"Sb",
"Sb",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2015-01-06 18:08:29 | [
0.10714285714285714,
0.10714285714285714,
0.14285714285714285,
0.5714285714285714,
0.07142857142857142
] | [] | -169.418107 | [
0.007,
0.006,
0.003,
0.006,
4.329,
4.333,
4.333,
0.025,
0.025,
0.039,
0.018,
0.014,
0.073,
0.006,
0.102,
0.095,
0.187,
0.073,
0.085,
0.085,
0.001,
0.137,
0.08,
0.08,
0.209,
0.074,
0.182,
0.074
] | [] | 14.681 | 3.508168 | pbe | true | f4cf3365a6982241dff84bc5a91903f7_8_Li4Fe3Co3Sb2O16 |
[
"Co",
"Fe",
"Li",
"O",
"Sn"
] | 28 | A16B4C3D3E2 | Co3Fe2Li4O16Sn3 | Co3 Fe2 Li4 O16 Sn3 | 5 | [
1,
1,
1
] | 3 | [
[
5.99763359,
-0.03009113,
0.04585447
],
[
-3.02473734,
5.21712673,
-0.01160568
],
[
0.07306846,
0.02050833,
9.62449927
]
] | mp-774889 | [
[
0.13617506946081362,
3.5262299323607915,
8.524471764186131
],
[
2.857894036261579,
5.096185773916628,
9.580083324051651
],
[
2.8938917966484126,
5.117305270879124,
4.870956931169533
],
[
3.0607708399161515,
1.747658644480509,
3.8565198727727896
],
[
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Li",
"Li",
"Li",
"Li",
"Fe",
"Fe",
"Co",
"Co",
"Co",
"Sn",
"Sn",
"Sn",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-21 05:07:00 | [
0.10714285714285714,
0.07142857142857142,
0.14285714285714285,
0.5714285714285714,
0.10714285714285714
] | [] | -166.78548 | [
0.004,
0.006,
0.004,
0.004,
4.331,
4.33,
0.038,
0.055,
-1.069,
0.01,
0.01,
0.009,
0.086,
0.068,
0.005,
0.012,
0.042,
0.046,
0.084,
0.078,
0.073,
0.037,
0.077,
0.099,
0.047,
0.084,
0.14,
0.074
] | [] | 8.784 | 3.269907 | pbe | true | 0f7c036fc9b2e44e9a4591fb998faa5a_1_Li4Fe2Co3Sn3O16 |
[
"Co",
"Fe",
"Mn",
"O",
"P"
] | 72 | A12B3CDE | CoFeMnO12P3 | Co4 Fe4 Mn4 O48 P12 | 5 | [
1,
1,
1
] | 3 | [
[
9.87103185,
0,
-0.00702052
],
[
0,
5.97461267,
0
],
[
-0.00232996,
0,
14.61498728
]
] | mp-760077 | [
[
2.1372145950876233,
4.4809595025,
11.877456530956948
],
[
2.1785829612319265,
4.4809595025,
2.1622397894814305
],
[
2.789919898890996,
1.4936531675,
4.586192443774326
],
[
7.081699826506711,
4.4809595025,
0.2880040135893624
],
[
2.201699750543385... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Mn",
"Mn",
"Mn",
"Mn",
"Fe",
"Fe",
"Fe",
"Fe",
"Co",
"Co",
"Co",
"Co",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"... | 2015-01-30 06:05:34 | [
0.05555555555555555,
0.05555555555555555,
0.05555555555555555,
0.6666666666666666,
0.16666666666666666
] | [] | -508.651552 | [
3.948,
3.92,
3.944,
3.941,
4.384,
4.378,
4.38,
4.378,
3.13,
3.115,
3.122,
3.122,
0.016,
0.015,
0.017,
0.015,
0.016,
0.02,
0.014,
0.011,
0.012,
0.013,
0.012,
0.014,
-0.023,
0.008,
0.115,
-0.018,
0.112,
0.093,
0.115,
0.115,
0.054,
0.054,
0.055,
0.0... | [] | 50.465 | 1.690956 | pbe | true | fe24f34a27a6a54893452fa0b7508f3f_6_Mn4Fe4Co4P12O48 |
[
"Co",
"Fe",
"Mn",
"O",
"P"
] | 72 | A12B3CDE | CoFeMnO12P3 | Co4 Fe4 Mn4 O48 P12 | 5 | [
1,
1,
1
] | 3 | [
[
9.88691789,
0,
0
],
[
0,
5.9653904,
0
],
[
0,
0,
14.6007058
]
] | mp-764410 | [
[
2.1491334800418826,
4.4740428,
7.013257177755787
],
[
2.7943254649581175,
1.4913476,
14.313610077755788
],
[
7.09582297546244,
4.4740428,
5.145096870645788
],
[
7.734553859537559,
1.4913476,
12.445449770645787
],
[
2.2403622465348483,
4.47404... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Mn",
"Mn",
"Mn",
"Mn",
"Fe",
"Fe",
"Fe",
"Fe",
"Co",
"Co",
"Co",
"Co",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"... | 2014-02-14 08:05:35 | [
0.05555555555555555,
0.05555555555555555,
0.05555555555555555,
0.6666666666666666,
0.16666666666666666
] | [] | -508.641172 | [
3.929,
3.929,
3.934,
3.934,
4.378,
4.378,
4.386,
4.386,
3.118,
3.118,
3.11,
3.11,
0.016,
0.014,
0.012,
0.012,
0.016,
0.014,
0.012,
0.016,
0.013,
0.013,
0.012,
0.016,
0.15,
-0.027,
0.105,
0.11,
0.108,
-0.019,
0.168,
0.057,
0.136,
0.168,
0.057,
0.1... | [] | 50.454 | 1.883268 | pbe | true | a957e06c5cd3b63f4ad7315b74d21365_31_Mn4Fe4Co4P12O48 |
[
"Bi",
"Rb",
"Te"
] | 4 | A2BC | BiRbTe2 | Rb1 Bi1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
4.57666492,
1.3e-7,
0
],
[
4.9e-7,
5.50146218,
0
],
[
0,
0,
18.61506113
]
] | agm2000080371 | [
[
4.576665057842324,
2.0614650716699727,
7.646900321256275
],
[
2.2883325547121025,
4.660284716625221,
10.57588488094879
],
[
2.2883327944160428,
4.782335150220124,
7.745375483838867
],
[
4.3320929379999994e-7,
2.808470586017759,
11.261961387805458
]
] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Rb",
"Bi",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.10768999,
2e-8,
0
],
[
2e-8,
0.14871453,
0.02452337
],
[
0,
0.02452338,
-0.10357884
]
] | -12.880917 | [
0,
0,
0,
0
] | [
[
0,
-0.00103761,
0.00400365
],
[
0,
0.00149561,
-0.00524169
],
[
0,
-0.00117664,
0.00029185
],
[
0,
0.00071864,
0.00094619
]
] | 0 | 0.042346 | pbe | true | c34633797630a36208870f48e73f534c_6_Rb1Bi1Te2 |
[
"Nb",
"Pt",
"Sc"
] | 4 | A2BC | Nb2PtSc | Sc1 Nb2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.28117081,
3.28117081
],
[
3.28117081,
0,
3.28117081
],
[
3.28117081,
3.28117081,
0
]
] | agm002734434 | [
[
0,
0,
0
],
[
1.640585405,
1.640585405,
1.640585405
],
[
4.921756215,
4.921756215,
4.921756215
],
[
3.28117081,
3.28117081,
3.28117081
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Sc",
"Nb",
"Nb",
"Pt"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
6.559383,
0,
0
],
[
0,
6.559383,
0
],
[
0,
0,
6.559383
]
] | -32.989167 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 4.481672 | pbe | true | 361b9b69821a3b87b8349c195b1459d6_225_Sc1Nb2Pt1 |
[
"Co",
"Np",
"Rh"
] | 6 | ABC | CoNpRh | Np2 Co2 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
4.55652944,
0,
0
],
[
2.27826472,
4.61771114,
-0.98473704
],
[
2.27826472,
-0.69746847,
4.66974314
]
] | agm001059117 | [
[
2.27826472,
3.7303902190931546,
-0.04077297317383619
],
[
2.27826472,
0.1898524509068451,
3.725779073173836
],
[
4.55652944,
2.7789696671882043,
0.9713825979134788
],
[
4.55652944,
1.1412730028117954,
2.7136235020865205
],
[
6.83479416,
2.964... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Rh",
"Rh",
"Np",
"Np",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
7.276139,
-1e-8,
-1e-8
],
[
-1e-8,
7.276886,
0.07928766
],
[
-1e-8,
0.07928766,
7.2670665
]
] | -54.481171 | [
0.117,
0.117,
-0.93,
-0.93,
1.097,
1.097
] | [
[
0,
0.00188101,
-0.00200109
],
[
0,
-0.00188101,
0.00200109
],
[
0,
-0.00786819,
0.00837047
],
[
0,
0.00786819,
-0.00837047
],
[
0,
0.00005011,
0.0000471
],
[
0,
-0.00005011,
-0.0000471
]
] | 0.45759 | 11.37706 | pbe | true | cd5a5490426445cb267a0e5804cfad1b_71_Np2Co2Rh2 |
[
"Co",
"Fe",
"O",
"Sr",
"Y"
] | 75 | A43B12C8D8E4 | Co8Fe8O43Sr12Y4 | Co8 Fe8 O43 Sr12 Y4 | 5 | [
1,
1,
1
] | 3 | [
[
7.06835034,
-0.19780028,
-3.55403779
],
[
-1.61430909,
6.92317348,
-3.5787292
],
[
0.69131052,
0.8070145,
18.96007339
]
] | mp-1173376 | [
[
1.0119760223724592,
1.3120422704939854,
11.018412333493696
],
[
0.28953291959882643,
4.839190658476864,
9.22284572630547
],
[
1.8394455342958729,
6.648347013977447,
12.03606703895699
],
[
0.5895499555996272,
0.9169151564478156,
1.500882372279448
],
[... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Y",
"Y",
"Y",
"Y",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"... | 2019-01-11 01:35:47 | [
0.10666666666666667,
0.10666666666666667,
0.5733333333333334,
0.16,
0.05333333333333334
] | [
[
1.07970959,
0.42936529,
-1.94085949
],
[
0.4293657,
-0.11600643,
-1.18417021
],
[
-1.94085976,
-1.18417019,
-4.70173083
]
] | -497.818172 | [
-0.001,
-0.001,
-0.001,
-0.002,
-0.002,
0.001,
0,
-0.002,
-0.002,
-0.001,
-0.001,
-0.001,
0.023,
0.018,
0.018,
0.023,
4.351,
4.373,
4.381,
4.378,
4.377,
4.38,
4.374,
4.351,
3.009,
3.022,
3.007,
3.007,
2.178,
2.988,
3.058,
3.059,
0.185,
0.287,
0.285... | [
[
-0.03952204,
-0.01558956,
0.07058541
],
[
0.04434748,
-0.00278839,
-0.00508953
],
[
0.02947046,
0.00391037,
-0.00317664
],
[
-0.10221322,
0.0177034,
0.05739851
],
[
0.03042893,
-0.01357681,
0.00436285
],
[
-0.01062799,
-0.0090... | 67.983 | 3.240233 | pbe | true | ec41e0c9cf49a9f184ca06e38b2eab0f_1_Sr12Y4Fe8Co8O43 |
[
"Co",
"Ga",
"La",
"O",
"Sr"
] | 100 | A30B9C7D3E | Co9GaLa7O30Sr3 | Co18 Ga2 La14 O60 Sr6 | 5 | [
1,
1,
1
] | 3 | [
[
4.76181375,
-0.00680735,
2.67966956
],
[
1.56747018,
4.49643744,
2.67966956
],
[
-0.22537027,
-0.15986471,
54.67513068
]
] | mp-1173241 | [
[
1.554287986966573,
1.1104627150382356,
2.7270696907454655
],
[
1.5567937506989722,
1.0952609180379813,
8.164655609748525
],
[
1.5271101787671328,
1.0774397608591304,
13.652061658171977
],
[
1.5190563091816744,
1.0717268089558114,
19.098929775828022
],
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}] | [
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"La",
"La",
"La",
"La",
"La",
"La",
"La",
"La",
"La",
"La",
"La",
"La",
"La",
"La",
"Ga",
"Ga",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co"... | 2019-01-11 01:28:28 | [
0.18,
0.02,
0.14,
0.6,
0.06
] | [
[
-0.17206921,
-0.10009739,
-1.45598001
],
[
-0.10009739,
-0.10195962,
-1.0327885
],
[
-1.45597933,
-1.03278802,
-1.2255641
]
] | -683.866186 | [
0.005,
0.008,
0.003,
0.003,
0.007,
0.005,
0.014,
0.011,
0.003,
0.01,
0.009,
0.015,
0.009,
0.013,
0.009,
0.007,
0.008,
0.011,
0.007,
0.014,
0.03,
0.029,
2.84,
2.82,
2.724,
1.791,
2.636,
2.634,
2.727,
2.819,
2.838,
1.8,
2.12,
2.224,
1.841,
2.229,
... | [
[
0.0515196,
0.03084235,
-0.04040271
],
[
-0.02450966,
-0.02710762,
0.01408607
],
[
0.04750308,
0.0553152,
-0.02983241
],
[
-0.06790727,
-0.02655027,
0.02983241
],
[
0.03368514,
0.01417243,
-0.01408607
],
[
-0.04613741,
-0.03842... | 44.966 | 5.630457 | pbe | true | 9840e6430e671ce16a78a0a19bba26c1_5_Sr6La14Ga2Co18O60 |
[
"Co",
"Ga",
"O",
"Sr",
"Y"
] | 26 | A7B2C2DE | Co2GaO7Sr2Y | Co4 Ga2 O14 Sr4 Y2 | 5 | [
1,
1,
1
] | 3 | [
[
5.38538108,
-0.0055482,
-1.24121523
],
[
-0.30156556,
5.52487281,
-1.28886829
],
[
-0.08259405,
-0.10347934,
11.99256869
]
] | mp-1046565 | [
[
0.6963093825338477,
0.9558410581036686,
3.219069491012642
],
[
4.235066728046532,
4.505979719714416,
6.273234616181618
],
[
3.241505336558553,
3.453242069853259,
2.0084521995238958
],
[
1.6638634778509995,
2.0117379716466246,
7.479421189029308
],
[
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}] | [
"Sr",
"Sr",
"Sr",
"Sr",
"Y",
"Y",
"Ga",
"Ga",
"Co",
"Co",
"Co",
"Co",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2017-11-28 13:42:51 | [
0.15384615384615385,
0.07692307692307693,
0.5384615384615384,
0.15384615384615385,
0.07692307692307693
] | [] | -172.652256 | [
-0.004,
-0.003,
-0.002,
-0.003,
0,
0,
0.011,
0.017,
2.677,
2.694,
2.669,
2.7,
0.105,
0.003,
0.108,
0.025,
0.114,
0.114,
0.003,
0.098,
0.098,
0.026,
0.017,
0.027,
0.118,
0.122
] | [] | 11.734 | 4.399786 | pbe | true | 0f99474253a784dd57ce3a3b60573fd5_1_Sr4Y2Ga2Co4O14 |
[
"Co",
"Gd",
"O",
"Pr",
"Sr"
] | 20 | A6BCDE | CoGdO6PrSr | Sr2 Pr2 Gd2 Co2 O12 | 5 | [
1,
1,
1
] | 3 | [
[
5.79293658,
0,
0
],
[
0,
5.69220092,
-0.05037478
],
[
0,
5.63361039,
8.04063954
]
] | agm005236789 | [
[
4.142368078509174,
8.547296696894595,
5.979527352290178
],
[
1.6505685014908267,
5.730491501894595,
1.959207582290178
],
[
1.1538826984152846,
5.551081478339144,
6.020078456620565
],
[
4.639053881584715,
2.7342762833391436,
1.9997586866205648
],
[
... | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}] | [
"Sr",
"Sr",
"Pr",
"Pr",
"Gd",
"Gd",
"Co",
"Co",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.1,
0.6,
0.1,
0.1
] | [
[
0.8813047,
0,
0
],
[
0,
0.91766346,
-0.05649254
],
[
0,
-0.05649259,
0.9030391
]
] | -159.939051 | [
0,
0,
0,
0,
-6.892,
-6.892,
1.035,
1.035,
-0.018,
-0.012,
-0.012,
-0.018,
-0.013,
-0.015,
-0.015,
-0.013,
-0.01,
-0.008,
-0.008,
-0.01
] | [
[
0.001353,
0.0005236,
-0.00040525
],
[
-0.001353,
0.0005236,
-0.00040525
],
[
0.00004319,
0.00088947,
0.00044495
],
[
-0.00004319,
0.00088947,
0.00044495
],
[
0.00330547,
0.00007657,
-0.00002769
],
[
-0.00330547,
0.00007657,
... | -11.964421 | -0.011036 | pbe | true | b738c685272a2e6c7cb029372e78ba39_7_Sr2Pr2Gd2Co2O12 |
[
"Co",
"Ge",
"H",
"O",
"P"
] | 86 | A22B12C4D4E | Co4GeH12O22P4 | Co8 Ge2 H24 O44 P8 | 5 | [
1,
1,
1
] | 3 | [
[
-6.47521947,
0,
0.87686943
],
[
-0.01225651,
0,
-7.62537431
],
[
0,
-16.56105767,
0
]
] | mp-1199973 | [
[
-5.225189965148768,
-5.872498054397456,
-1.0968410404318742
],
[
-1.9937084851487683,
-2.408030780602544,
-5.347962910431875
],
[
-1.2622860148512316,
-10.688559615602543,
-5.651663839568125
],
[
-4.493767494851232,
-14.153026889397458,
-1.40054196956812... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Ge",
"Ge",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"P",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"O",
"O",
... | 2019-01-12 04:28:10 | [
0.09302325581395349,
0.023255813953488372,
0.27906976744186046,
0.5116279069767442,
0.09302325581395349
] | [
[
-0.99423593,
0,
-0.72298672
],
[
0,
-4.15628136,
0
],
[
-0.72298695,
0,
-4.47065126
]
] | -519.442153 | [
2.754,
2.754,
2.754,
2.754,
2.761,
2.761,
2.761,
2.761,
0.006,
0.006,
0.009,
0.009,
0.009,
0.009,
0.01,
0.01,
0.01,
0.01,
0.001,
0.001,
0.001,
0.001,
0,
0,
0,
0,
0.002,
0.002,
0.002,
0.002,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0.029,... | [
[
-0.01132918,
-0.01803601,
-0.04004398
],
[
-0.01132918,
0.01803601,
-0.04004398
],
[
0.01132918,
0.01803601,
0.04004398
],
[
0.01132918,
-0.01803601,
0.04004398
],
[
-0.01321674,
0.01001068,
0.02249424
],
[
-0.01321674,
-0.010... | 23.504 | 4.413855 | pbe | true | f7fdb082bd2628ff971bb11e3d9bbc2a_14_Co8Ge2P8H24O44 |
[
"Co",
"H",
"I",
"N",
"O"
] | 156 | A21B7C6D3E2 | Co2H21I7N6O3 | Co8 H84 I28 N24 O12 | 5 | [
1,
1,
1
] | 3 | [
[
26.24112661,
0,
0
],
[
0,
8.29301565,
0
],
[
0,
0,
11.40078518
]
] | mp-759391 | [
[
2.751490238500133,
2.0732539125,
8.770102909083421
],
[
4.929659094599664,
2.0732539125,
10.183472954860903
],
[
8.190904210400335,
6.219761737499999,
4.483080364860904
],
[
10.369073066499867,
6.219761737499999,
3.069710319083422
],
[
15.8720535... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}] | [
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
... | 2014-02-13 21:48:39 | [
0.05128205128205128,
0.5384615384615384,
0.1794871794871795,
0.15384615384615385,
0.07692307692307693
] | [] | -700.139771 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0... | [] | 0 | 1.164959 | pbe | true | 290b007510290c9208305e7bd43b82df_62_Co8H84I28N24O12 |
[
"Co",
"H",
"K",
"O",
"S"
] | 62 | A14B12C2D2E | CoH12K2O14S2 | Co2 H24 K4 O28 S4 | 5 | [
1,
1,
1
] | 3 | [
[
6.25914037,
-0.00246163,
0
],
[
-2.25364761,
8.81691583,
0
],
[
0,
0,
12.3159781
]
] | mp-542902 | [
[
0,
0,
0
],
[
-1.126823805,
4.408457915,
6.15798905
],
[
1.8634254878003051,
1.1577533671864368,
4.272823787079197
],
[
3.268891077199695,
3.248242917813563,
10.430812837079198
],
[
2.1420672721996956,
7.656700832813562,
8.043154312920803
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}] | [
"Co",
"Co",
"K",
"K",
"K",
"K",
"S",
"S",
"S",
"S",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
... | 2014-02-21 01:35:39 | [
0.03225806451612903,
0.3870967741935484,
0.06451612903225806,
0.45161290322580644,
0.06451612903225806
] | [] | -331.738004 | [
2.758,
2.758,
0,
0,
0,
0,
0,
0,
0,
0,
0.001,
0.001,
0.001,
0.001,
0,
0,
0,
0,
0.001,
0.001,
0.001,
0.001,
0,
0,
0,
0,
0.028,
0.028,
0.028,
0.028,
0.026,
0.026,
0.026,
0.026,
0.033,
0.033,
0.033,
0.033,
0.001,
0.001,
0.001,
0.001,
0,... | [] | 5.884 | -0.426041 | pbe | true | 33aeb8ab35a55d270f45ec28897758c0_14_K4Co2H24S4O28 |
[
"Co",
"Np",
"Sn"
] | 13 | A8B4C | CoNp4Sn8 | Np4 Co1 Sn8 | 3 | [
1,
1,
1
] | 3 | [
[
4.40681732,
0,
0
],
[
0,
4.58925164,
0
],
[
0,
0,
15.91092322
]
] | agm006083941 | [
[
0,
0,
1.3492332420989597
],
[
0,
2.29462582,
9.550818536750656
],
[
2.20340866,
2.29462582,
6.38972254860491
],
[
2.20340866,
0,
14.50413794108505
],
[
0,
0,
4.765197876516582
],
[
0,
0,
7.2185887285753045
],
[
0,
... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}] | [
"Np",
"Np",
"Np",
"Np",
"Co",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.07692307692307693,
0.3076923076923077,
0.6153846153846154
] | [
[
4.5578833,
0,
0
],
[
0,
4.6091776,
0
],
[
0,
0,
4.5234537
]
] | -91.256987 | [
3.832,
3.896,
4.019,
3.924,
-0.119,
-0.032,
-0.031,
-0.028,
-0.034,
-0.01,
0.008,
-0.004,
0.009
] | [
[
0,
0,
-0.0039403
],
[
0,
0,
0.00075499
],
[
0,
0,
0.0009145
],
[
0,
0,
0.00046782
],
[
0,
0,
-0.00107324
],
[
0,
0,
0.00228078
],
[
0,
0,
-0.00169559
],
[
0,
0,
0.00364548
],
[
0,
... | 16.710672 | 40.89306 | pbe | true | 264d2ba8cf50a794f5c701dbcd64752b_25_Np4Co1Sn8 |
[
"Co",
"H",
"N",
"O",
"S"
] | 48 | A4B4C2DE | CoH4N2O4S | Co4 H16 N8 O16 S4 | 5 | [
1,
1,
1
] | 3 | [
[
6.57037073,
0,
0
],
[
0,
7.71393651,
0
],
[
0,
0,
8.9691242
]
] | mp-1199194 | [
[
0,
3.856968255,
4.4845621
],
[
3.285185365,
0,
4.4845621
],
[
3.285185365,
3.856968255,
0
],
[
0,
0,
0
],
[
1.9924857519477142,
2.9363487336321454,
6.044778745529156
],
[
1.2926996130522859,
0.9206195213678546,
6.044778745... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}] | [
"Co",
"Co",
"Co",
"Co",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"H",
"S",
"S",
"S",
"S",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",... | 2019-01-12 03:49:53 | [
0.08333333333333333,
0.3333333333333333,
0.16666666666666666,
0.3333333333333333,
0.08333333333333333
] | [
[
-3.79322259,
0,
0
],
[
0,
0.04228987,
0
],
[
0,
0,
-0.38973284
]
] | -274.446475 | [
2.736,
2.736,
2.736,
2.736,
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.001,
0.012,
0.012,
0.012,
0.012,
0.033,
0.033,
0.033,
0.033,
0.033,
0.033,
0.033,
0.033,
0.031,
0.031,
0.031,
0... | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.04824967,
0.07448887,
0.04351465
],
[
-0.04824967,
-0.07448887,
0.04351465
],
[
0.04824967,
-0.07448887,
-0.04351465
],
[
-0.04824967,
0.074... | 11.752 | 1.770682 | pbe | true | 6bb9ab11c2a43e60676d01c18f3f57d2_56_Co4H16S4N8O16 |
[
"Co",
"H",
"Na",
"O",
"Se"
] | 52 | A7B2C2DE | Co2HNaO7Se2 | Co8 H4 Na4 O28 Se8 | 5 | [
1,
1,
1
] | 3 | [
[
8.45080945,
0,
0
],
[
0,
13.4071753,
0
],
[
0,
0,
6.0935631
]
] | mp-697551 | [
[
1.076539657977483,
3.334584106641414,
4.570172325
],
[
3.1488650670225167,
10.038171756641415,
4.570172325
],
[
7.374269792022517,
10.072591193358587,
1.523390775
],
[
5.301944382977482,
3.369003543358586,
1.523390775
],
[
4.225404725,
6.7035... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}] | [
"Na",
"Na",
"Na",
"Na",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"H",
"H",
"H",
"H",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O... | 2014-01-19 10:53:44 | [
0.15384615384615385,
0.07692307692307693,
0.07692307692307693,
0.5384615384615384,
0.15384615384615385
] | [] | -283.527575 | [
0.001,
0.001,
0.001,
0.001,
2.729,
2.729,
2.729,
2.729,
2.732,
2.732,
2.732,
2.732,
0.001,
0.001,
0.001,
0.001,
0.008,
0.008,
0.008,
0.008,
0.021,
0.021,
0.021,
0.021,
0.063,
0.063,
0.063,
0.063,
0.04,
0.04,
0.04,
0.04,
0.035,
0.035,
0.035,
0.035... | [] | 23.5 | 2.420449 | pbe | true | 85fee062eb52269d30e09fbb6d3ba208_62_Na4Co8H4Se8O28 |
[
"Bi",
"Rb",
"Te"
] | 5 | A3BC | Bi3RbTe | Rb1 Bi3 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
6.04943041,
0,
0
],
[
0,
6.04943041,
0
],
[
0,
0,
6.04943041
]
] | agm002577196 | [
[
0,
0,
0
],
[
0,
3.024715205,
0
],
[
0,
0,
3.024715205
],
[
3.024715205,
0,
0
],
[
3.024715205,
3.024715205,
3.024715205
]
] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}] | [
"Te",
"Bi",
"Bi",
"Bi",
"Rb"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
-0.31358886,
0,
0
],
[
0,
-0.31358886,
0
],
[
0,
0,
-0.31358886
]
] | -14.329756 | [
0,
-0.001,
0.001,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 8.417469 | pbe | true | 1dc2372998efddc184003408e12bbd93_221_Rb1Bi3Te1 |
[
"Co",
"Os",
"Tm"
] | 3 | ABC | CoOsTm | Co1 Os1 Tm1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.058003,
3.058003
],
[
3.058003,
0,
3.058003
],
[
3.058003,
3.058003,
0
]
] | oqmd-2894665 | [
[
1.529000000000001,
1.529000000000001,
1.529000000000001
],
[
0,
0,
0
],
[
4.587,
4.587,
4.586999999999996
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}] | [
"Co",
"Os",
"Tm"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
39.03612,
0,
0
],
[
0,
39.03612,
0
],
[
0,
0,
39.03612
]
] | -21.2845 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.47244 | null | pbe | true | e49f0ed83c94f96795b11dc2a860420a_216_Tm1Co1Os1 |
[
"Co",
"La",
"O",
"Sr",
"Ta"
] | 60 | A6BCDE | CoLaO6SrTa | Co6 La6 O36 Sr6 Ta6 | 5 | [
1,
1,
1
] | 3 | [
[
4.92174387,
3e-8,
2.84157016
],
[
1.64058167,
4.64026473,
2.84157016
],
[
-0.0341428,
-0.0241426,
34.1579758
]
] | mp-1173186 | [
[
1.7813627499262843,
1.2596136451679787,
2.5977411349027215
],
[
1.5863945701730433,
1.1217503278589966,
8.618552750938978
],
[
1.6243597726664145,
1.1485957800141824,
14.235946090986408
],
[
4.9279009646876135,
3.484552092346907,
8.514046178260346
],
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}] | [
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"Sr",
"La",
"La",
"La",
"La",
"La",
"La",
"Ta",
"Ta",
"Ta",
"Ta",
"Ta",
"Ta",
"Co",
"Co",
"Co",
"Co",
"Co",
"Co",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
... | 2019-01-11 01:26:00 | [
0.1,
0.1,
0.6,
0.1,
0.1
] | [
[
-2.63280401,
-0.25687608,
0.62921462
],
[
-0.25687608,
-2.45116541,
0.44492191
],
[
0.62921462,
0.44492191,
-3.35935793
]
] | -478.9057 | [
-0.004,
-0.003,
-0.001,
-0.002,
-0.003,
-0.001,
-0.033,
-0.011,
-0.006,
-0.035,
-0.01,
-0.032,
-0.019,
-0.005,
0.017,
0.018,
0.019,
0.032,
2.718,
2.692,
2.713,
2.662,
2.717,
2.836,
0.043,
0.004,
0.04,
0.004,
0.042,
0.005,
0.046,
0.048,
0.041,
0.045,
... | [
[
0.04745622,
0.03355661,
-0.08219657
],
[
-0.00317452,
-0.00224473,
0.00549844
],
[
-0.02132162,
-0.01507666,
0.03693012
],
[
0.02875442,
0.02033244,
-0.0498041
],
[
-0.01371419,
-0.0096974,
0.02375367
],
[
0.00752379,
0.005320... | 17.997 | 6.31916 | pbe | true | 5a280d4bb180b4d38d50eb74c186e2de_156_Sr6La6Ta6Co6O36 |
[
"Bi",
"Re",
"W"
] | 5 | A3BC | BiReW3 | Re1 Bi1 W3 | 3 | [
1,
1,
1
] | 3 | [
[
4.87565747,
0,
0
],
[
0,
4.87565747,
0
],
[
0,
0,
4.87565747
]
] | agm002622691 | [
[
2.437828735,
2.437828735,
2.437828735
],
[
0,
0,
0
],
[
0,
2.437828735,
0
],
[
0,
0,
2.437828735
],
[
2.437828735,
0,
0
]
] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}] | [
"Re",
"Bi",
"W",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
7.320015,
0,
0
],
[
0,
7.320015,
0
],
[
0,
0,
7.320015
]
] | -37.155513 | [
0.011,
0,
-0.002,
-0.002,
-0.003
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.005113 | 5.080522 | pbe | true | bd13415e628231bbbd8bd6787abfdada_221_Re1Bi1W3 |
[
"Co",
"Li",
"Mn",
"O",
"P"
] | 40 | A24B6C5D4E | CoLi4Mn5O24P6 | Co1 Li4 Mn5 O24 P6 | 5 | [
1,
1,
1
] | 3 | [
[
8.60989413,
-0.29397089,
-0.21296085
],
[
4.52064749,
-7.78739622,
-0.05820192
],
[
4.523994,
-2.66185265,
-7.32056327
]
] | mp-760813 | [
[
8.964502056377647,
-8.419329752674951,
-4.841415770309464
],
[
8.656479257272036,
-2.354317136400765,
-2.6544507509174697
],
[
10.522894174128583,
-6.486133660499596,
-1.3077719199606774
],
[
11.409212380124185,
-4.947707403588791,
-5.766136115586386
]... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Li",
"Li",
"Li",
"Li",
"Mn",
"Mn",
"Mn",
"Mn",
"Mn",
"Co",
"P",
"P",
"P",
"P",
"P",
"P",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-15 14:03:26 | [
0.025,
0.1,
0.125,
0.6,
0.15
] | [] | -283.681875 | [
0,
-0.001,
-0.001,
-0.001,
4.663,
3.975,
4.658,
3.968,
4.623,
2.75,
0.021,
0.02,
0.019,
0.013,
0.02,
0.02,
0.009,
0.015,
-0.005,
-0.042,
0.019,
0.007,
0.011,
-0.042,
-0.011,
0.038,
0.027,
0.035,
0.013,
0.036,
0.017,
0.03,
0.028,
0.037,
0.026,
0.0... | [] | 25.065 | 2.225689 | pbe | true | 6a4fd93fc2e47ffd6a95307234a5cf59_1_Li4Mn5Co1P6O24 |
[
"Co",
"Li",
"Mn",
"O",
"Sn"
] | 28 | A16B4C3D3E2 | Co2Li4Mn3O16Sn3 | Co2 Li4 Mn3 O16 Sn3 | 5 | [
1,
1,
1
] | 3 | [
[
6.08487921,
-0.00180576,
0.0194638
],
[
-3.04400669,
5.27356319,
0.0024837
],
[
0.02997141,
0.02188721,
9.76497434
]
] | mp-774784 | [
[
0.08166344981159034,
3.5668324025259217,
8.627348744784786
],
[
2.9456872123683,
5.2226365241578385,
9.73793461705065
],
[
2.957583973885306,
5.226408222278655,
4.924021835165882
],
[
3.094143936393716,
1.788387683638569,
3.834607868095854
],
[
1... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Li",
"Li",
"Li",
"Li",
"Mn",
"Mn",
"Mn",
"Co",
"Co",
"Sn",
"Sn",
"Sn",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-21 01:50:04 | [
0.07142857142857142,
0.14285714285714285,
0.10714285714285714,
0.5714285714285714,
0.10714285714285714
] | [] | -175.03352 | [
0.004,
0.004,
0.004,
0.003,
3.28,
3.331,
3.333,
2.696,
2.712,
0.019,
0.019,
0.034,
-0.01,
0.042,
-0.051,
-0.04,
-0.096,
-0.011,
-0.035,
-0.034,
0.036,
-0.098,
-0.018,
-0.018,
-0.112,
-0.024,
-0.104,
-0.024
] | [] | 14.842 | 3.262699 | pbe | true | 2d6c18773e711dadb4a6179a04d97c66_8_Li4Mn3Co2Sn3O16 |
[
"Co",
"Li",
"Mn",
"O",
"Te"
] | 28 | A16B4C3D3E2 | Co3Li4Mn2O16Te3 | Co3 Li4 Mn2 O16 Te3 | 5 | [
1,
1,
1
] | 3 | [
[
6.1339884,
-0.04964235,
0.01297022
],
[
-3.11086683,
5.46502803,
0.10447395
],
[
0.02066839,
0.19964148,
9.96784656
]
] | mp-753987 | [
[
-0.06749610557701391,
3.6578638860871417,
8.780180916791817
],
[
6.050444893479341,
0.2595732566186649,
9.916088352614915
],
[
3.0076903552761993,
5.476496702545889,
5.171556735681906
],
[
2.9191392406309262,
1.880004497378331,
4.026142794509768
],
[... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Li",
"Li",
"Li",
"Li",
"Mn",
"Mn",
"Co",
"Co",
"Co",
"Te",
"Te",
"Te",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-16 04:01:46 | [
0.10714285714285714,
0.14285714285714285,
0.07142857142857142,
0.5714285714285714,
0.10714285714285714
] | [] | -164.127327 | [
0.003,
0.003,
0.004,
0.002,
4.602,
4.027,
2.678,
2.701,
2.136,
0.004,
0,
0.007,
0.052,
0.001,
0.029,
0.033,
0.037,
0.041,
0.06,
0.024,
-0.023,
-0.003,
0.003,
0.081,
0.04,
0.055,
-0.07,
-0.013
] | [] | 16.514 | 3.678411 | pbe | true | a9a890c93c2c77a0fbf32b31a8e2c9ef_1_Li4Mn2Co3Te3O16 |
[
"Co",
"Li",
"Nb",
"O",
"Sn"
] | 28 | A16B4C3D3E2 | Co3Li4Nb3O16Sn2 | Co3 Li4 Nb3 O16 Sn2 | 5 | [
1,
1,
1
] | 3 | [
[
6.09655116,
-0.02272671,
0.02405386
],
[
-3.06802518,
5.31329013,
-0.00023044
],
[
0.03815599,
0.02167213,
10.03230005
]
] | mp-774896 | [
[
0.03527043537347087,
3.5613507621423532,
9.09277875537497
],
[
0.0391788875189693,
0.0227437828773917,
10.004211095046763
],
[
0.2152661192983003,
0.1248208894374502,
4.868096469463324
],
[
3.0762340032272624,
1.7758607617795672,
3.8803891666858115
],
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Li",
"Li",
"Li",
"Li",
"Nb",
"Nb",
"Nb",
"Co",
"Co",
"Co",
"Sn",
"Sn",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-22 07:44:52 | [
0.10714285714285714,
0.14285714285714285,
0.10714285714285714,
0.5714285714285714,
0.07142857142857142
] | [] | -193.823 | [
0.001,
-0.001,
0,
0.001,
-0.006,
-0.137,
-0.136,
2.702,
2.701,
2.224,
0,
0.007,
0.018,
0.088,
0.079,
0.057,
0.009,
0.018,
0.04,
0.04,
0.072,
0.001,
0.022,
0.022,
0.023,
0.032,
-0.004,
0.032
] | [] | 7.905 | 3.544856 | pbe | true | d4c06d54d01ec3f4738fcec29ce6a7b0_8_Li4Nb3Co3Sn2O16 |
[
"Co",
"Li",
"Nb",
"O",
"Ti"
] | 28 | A16B4C3D3E2 | Co3Li4Nb3O16Ti2 | Co3 Li4 Nb3 O16 Ti2 | 5 | [
1,
1,
1
] | 3 | [
[
6.01979373,
-0.04207647,
0.02314947
],
[
-3.04642715,
5.27808547,
0.00055005
],
[
0.03573802,
0.02175566,
9.85162352
]
] | mp-767657 | [
[
0.0058338872994038215,
3.5237647876065954,
8.907675850801272
],
[
0.06610063645807611,
0.0381248018497685,
9.839482506906478
],
[
0.1993464238908017,
0.1158271732550993,
4.782788505960619
],
[
2.989173923526006,
1.7266673531626855,
3.866902635696464
],... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Li",
"Li",
"Li",
"Li",
"Ti",
"Ti",
"Nb",
"Nb",
"Nb",
"Co",
"Co",
"Co",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-16 13:38:51 | [
0.10714285714285714,
0.14285714285714285,
0.10714285714285714,
0.5714285714285714,
0.07142857142857142
] | [] | -210.281091 | [
0.001,
-0.002,
0,
0,
0.032,
0.066,
-0.013,
-0.128,
-0.129,
2.689,
2.689,
2.192,
0.017,
0.067,
0.083,
0.057,
0.008,
0.017,
0.046,
0.046,
0.051,
-0.001,
0.016,
0.016,
0.024,
0.034,
-0.002,
0.034
] | [] | 7.91 | 3.438581 | pbe | true | da92b5596f9ada1a5e781beb72c72ea6_8_Li4Ti2Nb3Co3O16 |
[
"Bi",
"Rh",
"Sm"
] | 4 | A2BC | BiRh2Sm | Sm1 Bi1 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
3.69221298,
0,
0
],
[
0,
4.69340883,
0
],
[
0,
0,
4.69340883
]
] | agm001221134 | [
[
0,
0,
2.346704415
],
[
0,
2.346704415,
0
],
[
1.84610649,
0,
0
],
[
1.84610649,
2.346704415,
2.346704415
]
] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}] | [
"Rh",
"Rh",
"Bi",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
5.4911838,
0,
0
],
[
0,
5.0511065,
0
],
[
0,
0,
5.0511065
]
] | -25.276028 | [
0.001,
0.001,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.001416 | 4.181979 | pbe | true | 74c4360915b5a2b678397510e85a9a3e_123_Sm1Bi1Rh2 |
[
"Co",
"P",
"Re"
] | 3 | ABC | CoPRe | Co1 Re1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
3.96743944,
0,
0
],
[
-1.98371972,
3.43590334,
0
],
[
0,
0,
2.75692324
]
] | agm004090027 | [
[
0,
0,
0.290158451624928
],
[
1.983719739837197,
1.145301101880322,
0.8805540045786464
],
[
-1.9837197319379752e-8,
2.2906022381196776,
1.5862107837964257
]
] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Co",
"P",
"Re"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
6.590674,
0,
0
],
[
0,
6.590674,
0
],
[
0,
0,
5.9160967
]
] | -24.957674 | [
0.721,
-0.012,
0.088
] | [
[
0,
0,
-0.00157046
],
[
0,
0,
-0.00058326
],
[
0,
0,
0.00215372
]
] | 0.783121 | 2.051389 | pbe | true | d37d230dbf9802d76a748b29b65ae20d_156_Co1Re1P1 |
[
"Co",
"Li",
"Ni",
"O",
"Sb"
] | 28 | A16B4C3D3E2 | Co3Li4Ni2O16Sb3 | Co3 Li4 Ni2 O16 Sb3 | 5 | [
1,
1,
1
] | 3 | [
[
5.92542189,
-0.04747484,
-0.0116581
],
[
-3.00382652,
5.2028671,
0.00000128
],
[
-0.02102197,
-0.01213733,
9.70933199
]
] | mp-757795 | [
[
-0.02151297855056931,
3.456202726067148,
8.391406988392063
],
[
2.688439444363594,
5.020828208270868,
9.589819889534636
],
[
2.768568156295098,
5.067012133460274,
4.914237164172857
],
[
2.9368775310221893,
1.6957230865209956,
3.9169667263996355
],
[
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"Li",
"Li",
"Li",
"Li",
"Co",
"Co",
"Co",
"Ni",
"Ni",
"Sb",
"Sb",
"Sb",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-13 14:28:15 | [
0.10714285714285714,
0.14285714285714285,
0.07142857142857142,
0.5714285714285714,
0.10714285714285714
] | [] | -158.578384 | [
0.003,
0,
0.003,
0,
0.068,
0.007,
0.007,
1.778,
1.754,
0.003,
0.003,
0,
0.032,
0.016,
-0.002,
0.002,
0.002,
0.032,
0.015,
0.015,
0.016,
0.032,
0.042,
0.042,
-0.001,
0.009,
0.05,
0.009
] | [] | 3.937 | 4.577604 | pbe | true | 3a5a5cc31fa7dbd3e7008a820664a9d5_8_Li4Co3Ni2Sb3O16 |
[
"Co",
"Li",
"Ni",
"O",
"Sn"
] | 28 | A16B4C3D3E2 | Co3Li4Ni3O16Sn2 | Co3 Li4 Ni3 O16 Sn2 | 5 | [
1,
1,
1
] | 3 | [
[
5.8893031,
0.06830239,
-0.10894302
],
[
-2.88568183,
4.99284016,
0.00047922
],
[
-0.18110996,
-0.10400765,
9.56413298
]
] | mp-849378 | [
[
-0.18465903945907364,
3.220769796475758,
8.514065420201057
],
[
-0.1509260452919874,
-0.08812620446493549,
9.50542597097816
],
[
-0.07038758397906109,
-0.03892656250898809,
4.7298531226283105
],
[
2.8811387537336155,
1.6646330907157165,
3.674992393354799... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Li",
"Li",
"Li",
"Li",
"Co",
"Co",
"Co",
"Ni",
"Ni",
"Ni",
"Sn",
"Sn",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-07-05 02:30:27 | [
0.10714285714285714,
0.14285714285714285,
0.10714285714285714,
0.5714285714285714,
0.07142857142857142
] | [] | -153.543721 | [
-0.001,
0.001,
0.006,
0,
0.903,
0.902,
1.08,
-1.675,
-1.167,
-1.172,
-0.012,
0.001,
-0.013,
-0.075,
0.01,
0.005,
0.074,
-0.014,
0.022,
0.021,
-0.052,
0.072,
-0.093,
-0.093,
0.091,
-0.019,
0.149,
-0.019
] | [] | -1.068 | 3.32576 | pbe | true | 5c43397da58770a2a34404eb8fa54612_8_Li4Co3Ni3Sn2O16 |
[
"Co",
"Li",
"O",
"P",
"Sn"
] | 36 | A24B6C3D2E | CoLi2O24P6Sn3 | Co1 Li2 O24 P6 Sn3 | 5 | [
1,
1,
1
] | 3 | [
[
8.79043983,
-0.08278102,
-0.05767473
],
[
4.58919442,
7.49786526,
-0.05767479
],
[
4.58919439,
2.54336224,
7.05355421
]
] | mp-770199 | [
[
17.66623895635099,
9.790749228810744,
6.821367404481807
],
[
8.958673433908341,
4.964957466664006,
3.4591631586354343
],
[
15.39601635673238,
8.532576494854034,
5.9447788742225605
],
[
2.555616473635714,
1.416339951033535,
0.986786092653203
],
[
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Li",
"Li",
"Co",
"Sn",
"Sn",
"Sn",
"P",
"P",
"P",
"P",
"P",
"P",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-17 17:58:19 | [
0.027777777777777776,
0.05555555555555555,
0.6666666666666666,
0.16666666666666666,
0.08333333333333333
] | [] | -241.97129 | [
-0.001,
0,
0.165,
-0.002,
-0.002,
-0.003,
-0.004,
-0.004,
-0.004,
-0.002,
-0.003,
-0.003,
0.008,
0.006,
0.04,
0.009,
0.048,
0.055,
0.032,
0.04,
0.042,
0.01,
0.042,
0.012,
0.043,
0.036,
0.052,
0.037,
0.046,
0.056,
0.012,
0.044,
0.003,
0.054,
0.003,
... | [] | 0.869 | 1.422429 | pbe | true | 104b6329aac8316db83eed4f84599008_146_Li2Co1Sn3P6O24 |
[
"Nb",
"Pt",
"Zn"
] | 4 | A2BC | Nb2PtZn | Nb2 Zn1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
2.82810352,
0,
0
],
[
1.41405176,
2.44920949,
0
],
[
1.41405176,
0.81640316,
10.07578804
]
] | agm001985472 | [
[
1.4140531599112425,
0.8164039691125308,
7.435733080495613
],
[
4.2421538800887575,
2.449208680887469,
2.6400549595043885
],
[
2.82810352,
1.632806325,
5.03789402
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}] | [
"Nb",
"Nb",
"Zn",
"Pt"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.7175608,
0,
0
],
[
0,
3.7175608,
0
],
[
0,
0,
3.7360141
]
] | -26.653104 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00064933
],
[
0,
0,
-0.00064933
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00001 | 3.821265 | pbe | true | d9ea0092aee05ac8cbac94c256155855_166_Nb2Zn1Pt1 |
[
"Bi",
"Rh",
"Tl"
] | 5 | A3BC | BiRh3Tl | Tl1 Bi1 Rh3 | 3 | [
1,
1,
1
] | 3 | [
[
4.96934793,
0,
0
],
[
0,
4.96934793,
0
],
[
0,
0,
4.96934793
]
] | agm002578132 | [
[
0,
0,
0
],
[
0,
2.484673965,
0
],
[
0,
0,
2.484673965
],
[
2.484673965,
0,
0
],
[
2.484673965,
2.484673965,
2.484673965
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}] | [
"Tl",
"Rh",
"Rh",
"Rh",
"Bi"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
6.7015257,
0,
0
],
[
0,
6.7015257,
0
],
[
0,
0,
6.7015257
]
] | -22.185687 | [
-0.019,
0.613,
0.368,
0.485,
0.011
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.501885 | 6.053712 | pbe | true | 67bd77078d3716cbd3b5a97c6e8c595c_221_Tl1Bi1Rh3 |
[
"Co",
"Nd",
"O",
"Pb",
"Sb"
] | 20 | A6BCDE | CoNdO6PbSb | Co2 Nd2 O12 Pb2 Sb2 | 5 | [
1,
1,
1
] | 3 | [
[
5.6461343,
0,
0.01076522
],
[
0,
5.82443803,
0
],
[
0.02860397,
0,
8.03255857
]
] | mp-1220261 | [
[
2.9314266575955163,
2.561815814098494,
6.045708455939997
],
[
0.0940575225955163,
0.35040320090150573,
2.0240465609399974
],
[
0.0206240510618298,
2.997037102589973,
4.037388228877652
],
[
2.8293892160618297,
5.739619942410026,
0.026491553877651
],
[... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}] | [
"Nd",
"Nd",
"Co",
"Co",
"Sb",
"Sb",
"Pb",
"Pb",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2019-01-12 21:08:12 | [
0.1,
0.1,
0.6,
0.1,
0.1
] | [
[
4.3646222,
0,
0.24610572
],
[
0,
1.9508664,
0
],
[
0.24610556,
0,
2.14912072
]
] | -131.006574 | [
0,
0.001,
2.717,
2.718,
0.024,
0.024,
-0.001,
-0.001,
0.037,
0.037,
0.029,
0.028,
0.034,
0.034,
0.033,
0.033,
0.033,
0.033,
0.036,
0.037
] | [
[
0.00608117,
0.02911087,
0.02639579
],
[
0.00608117,
-0.02911087,
0.02639579
],
[
0.03074791,
-0.03004739,
-0.0116659
],
[
0.03074791,
0.03004739,
-0.0116659
],
[
0.04199059,
-0.03617855,
0.07165309
],
[
0.04199059,
0.03617855,... | 5.886 | 5.300255 | pbe | true | 22046d718457cd2e08611266b245e0d1_7_Nd2Co2Sb2Pb2O12 |
[
"Bi",
"Ru",
"Ta"
] | 3 | ABC | BiRuTa | Ta1 Bi1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
4.45948779,
0,
0
],
[
2.22974389,
3.86202971,
0
],
[
2.22974389,
1.28734324,
3.64115653
]
] | agm002181300 | [
[
2.2297438925,
1.2873432375,
0.9102891325
],
[
4.459487785,
2.574686475,
1.820578265
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}] | [
"Ru",
"Bi",
"Ta"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.2321978,
0,
0
],
[
0,
4.2321978,
0
],
[
0,
0,
4.2321978
]
] | -25.007254 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0 | pbe | true | 538b5c96cdbfcb3170095ee28d43f4d0_216_Ta1Bi1Ru1 |
[
"Co",
"P",
"Sr"
] | 4 | A2BC | Co2PSr | Sr1 Co2 P1 | 3 | [
1,
1,
1
] | 3 | [
[
3.48462056,
0,
0
],
[
0,
4.77870129,
-0.11307014
],
[
0,
0.11266348,
4.83996301
]
] | agm003910462 | [
[
0,
4.744974602468586,
1.0986494765265717
],
[
0,
2.4794090725314133,
1.1517268184734284
],
[
1.74231028,
1.2228411925,
1.1817232175
],
[
1.74231028,
3.6685235775,
3.5451696525
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"Co",
"Co",
"P",
"Sr"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.2130711,
0,
0
],
[
0,
1.6037251,
0.02541329
],
[
0,
0.02541337,
1.1628463
]
] | -22.114696 | [
0.466,
0.466,
-0.016,
-0.021
] | [
[
0,
0.00774144,
-0.00033119
],
[
0,
-0.00774144,
0.00033119
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.817377 | 2.903271 | pbe | true | 12177b7b8eed437b9ca490ffb08bcf09_47_Sr1Co2P1 |
[
"Co",
"O",
"P",
"Te",
"Ti"
] | 36 | A24B6C3D2E | Co2O24P6TeTi3 | Co2 O24 P6 Te1 Ti3 | 5 | [
1,
1,
1
] | 3 | [
[
8.65169841,
-0.10186516,
-0.07190023
],
[
4.26906126,
7.52578004,
-0.07189919
],
[
4.26906228,
2.45288577,
7.11518739
]
] | mp-774340 | [
[
2.4122721237906695,
1.386025460271423,
0.9783047732010175
],
[
6.135406033640877,
3.525236182046559,
2.4882337896460545
],
[
11.000125301694439,
6.320370568460547,
4.461136445728295
],
[
0.143288855032176,
0.082329849642192,
0.058111259273769596
],
[... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}] | [
"Ti",
"Ti",
"Ti",
"Co",
"Co",
"Te",
"P",
"P",
"P",
"P",
"P",
"P",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-02-22 08:33:20 | [
0.05555555555555555,
0.6666666666666666,
0.16666666666666666,
0.027777777777777776,
0.08333333333333333
] | [] | -266.36896 | [
-0.448,
-0.094,
-0.386,
2.427,
2.383,
0,
-0.002,
-0.002,
-0.002,
-0.001,
-0.002,
-0.002,
0.002,
0.003,
0.019,
0.003,
0.001,
0.009,
0.02,
0.009,
0.003,
0.009,
0.008,
0.003,
0,
0.019,
0.016,
0.001,
0.015,
0.008,
0.016,
0.003,
0,
0.008,
0.001,
0
] | [] | 4.047 | 3.748108 | pbe | true | 9763988abfecab7c3c4445c904c07f3c_146_Ti3Co2Te1P6O24 |
[
"Bi",
"Nb",
"Te"
] | 5 | A3BC | BiNb3Te | Nb3 Bi1 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
5.20356215,
0,
0
],
[
0,
5.20356215,
0
],
[
0,
0,
5.20356215
]
] | agm002550984 | [
[
0,
2.601781075,
0
],
[
0,
0,
2.601781075
],
[
2.601781075,
0,
0
],
[
2.601781075,
2.601781075,
2.601781075
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}] | [
"Nb",
"Nb",
"Nb",
"Te",
"Bi"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
3.8910286,
0,
0
],
[
0,
3.8910286,
0
],
[
0,
0,
3.8910286
]
] | -28.442345 | [
0.002,
-0.002,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000006 | 7.618259 | pbe | true | 82c7fe4b7dfea7105dc21e9ad7398d16_221_Nb3Bi1Te1 |