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[
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[
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[
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],
[
1.36782779,
-2.36914723,
2.508306305
],
[
1.36782779,
2.36914723,
2.508306305
],
[
2.73565558,
0,
2.508306305
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}] | [
"Mg",
"As",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.8333333333333334,
0.16666666666666666
] | [
[
-0.23975527,
0,
0
],
[
0,
-0.23975527,
0
],
[
0,
0,
0.08372176
]
] | -22.870234 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 3.37989 | pbe | true | 79cccef5aaa02069caa4211ed74aa407_191_Mg1As5 |
[
"Au",
"Er",
"Tc"
] | 4 | A2BC | AuEr2Tc | Er2 Tc1 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
3.52932308,
0,
0
],
[
0,
4.87507511,
0
],
[
0,
0,
4.87507511
]
] | agm001227556 | [
[
1.76466154,
0,
0
],
[
1.76466154,
2.437537555,
2.437537555
],
[
0,
0,
2.437537555
],
[
0,
2.437537555,
0
]
] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}] | [
"Au",
"Tc",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.9255676,
0,
0
],
[
0,
2.8687837,
0
],
[
0,
0,
2.8687837
]
] | -24.335464 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000011 | 4.009373 | pbe | true | 6df00e10005034a1c2e74d4517996046_123_Er2Tc1Au1 |
[
"Bi",
"P",
"Tc"
] | 5 | A3BC | Bi3PTc | Tc1 Bi3 P1 | 3 | [
1,
1,
1
] | 3 | [
[
5.33832497,
0,
0
],
[
0,
5.33832497,
0
],
[
0,
0,
5.33832497
]
] | agm002568715 | [
[
0,
0,
0
],
[
0,
2.669162485,
0
],
[
0,
0,
2.669162485
],
[
2.669162485,
0,
0
],
[
2.669162485,
2.669162485,
2.669162485
]
] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
"P",
"Bi",
"Bi",
"Bi",
"Tc"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
-0.03642066,
0,
0
],
[
0,
-0.03642066,
0
],
[
0,
0,
-0.03642066
]
] | -21.510077 | [
-0.027,
-0.176,
-0.163,
-0.096,
3.158
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.039157 | 2.772853 | pbe | true | 5a4299530ab8ff3c4d78be5ead28339a_221_Tc1Bi3P1 |
[
"Bi",
"Pb",
"Sn"
] | 5 | A3BC | BiPbSn3 | Sn3 Bi1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.76359145,
0,
0
],
[
0,
5.76359145,
0
],
[
0,
0,
5.76359145
]
] | agm002605703 | [
[
0,
0,
0
],
[
2.881795725,
2.881795725,
2.881795725
],
[
0,
2.881795725,
0
],
[
0,
0,
2.881795725
],
[
2.881795725,
0,
0
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}] | [
"Pb",
"Bi",
"Sn",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
4.071008,
0,
0
],
[
0,
4.071008,
0
],
[
0,
0,
4.071008
]
] | -16.151369 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.401842 | pbe | true | 3e7cbac4d78825489558bf68b4caee80_221_Sn3Bi1Pb1 |
[
"Fe",
"Ni",
"O",
"P",
"Sn"
] | 36 | A24B6C3D2E | FeNi3O24P6Sn2 | Fe1 Ni3 O24 P6 Sn2 | 5 | [
1,
1,
1
] | 3 | [
[
8.50020946,
-0.13295866,
-0.09384687
],
[
4.16590813,
7.41056321,
-0.09384681
],
[
4.16590817,
2.39361675,
7.01397573
]
] | mp-849278 | [
[
14.315770208602475,
8.225449731449418,
5.805806538101913
],
[
2.484816862003256,
1.427707758118655,
1.0077254505479174
],
[
5.947748632129128,
3.4174135709077653,
2.4121285402200527
],
[
10.882983755011475,
6.253064592447543,
4.4136289782672256
],
[
... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"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": "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"]}] | [
"Fe",
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"Ni",
"Ni",
"Sn",
"Sn",
"P",
"P",
"P",
"P",
"P",
"P",
"O",
"O",
"O",
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"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2014-07-06 01:16:55 | [
0.027777777777777776,
0.08333333333333333,
0.6666666666666666,
0.16666666666666666,
0.05555555555555555
] | [] | -237.198787 | [
4.365,
1.778,
1.789,
1.767,
0.006,
0.005,
0.015,
0.014,
0.013,
0.013,
0.013,
0.014,
-0.049,
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0.019,
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0.079,
0.021,
0.017,
0.021,
-0.049,
0.025,
0.044,
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0.08,
0.018,
0.006,
0.08,
0,
0.042,
0.003,
-0.047,
-0.023,
0.045,
-0.02,
... | [] | 9.932 | 2.07873 | pbe | true | b2e894e162c2e30f01bafe27e2cc013f_146_Fe1Ni3Sn2P6O24 |
[
"Bi",
"Pd",
"Pu"
] | 4 | A2BC | BiPd2Pu | Pu1 Bi1 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
3.86615125,
0,
0
],
[
0,
4.74899323,
0
],
[
0,
0,
4.74899323
]
] | agm001218710 | [
[
1.933075625,
2.374496615,
2.374496615
],
[
0,
0,
2.374496615
],
[
0,
2.374496615,
0
],
[
1.933075625,
0,
0
]
] | [{"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}] | [
"Bi",
"Pd",
"Pd",
"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
4.604351,
0,
0
],
[
0,
4.654326,
0
],
[
0,
0,
4.654326
]
] | -29.942054 | [
-0.011,
0.017,
0.017,
5.283
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.550408 | 15.053025 | pbe | true | ab7b3f4df0bbcf22d965006c0b3ef722_123_Pu1Bi1Pd2 |
[
"Fe",
"O",
"P",
"Rb",
"Zr"
] | 76 | A12B3C2DE | FeO12P3Rb2Zr | Fe4 O48 P12 Rb8 Zr4 | 5 | [
1,
1,
1
] | 3 | [
[
10.25453127,
0,
0
],
[
0,
10.25453127,
0
],
[
0,
0,
10.25453127
]
] | mp-694868 | [
[
0.7239207884572167,
0.7239207884572167,
0.7239207884572167
],
[
2.1640589563910004,
7.2913245913910005,
8.090472313608998
],
[
2.9632066786089992,
2.9632066786089992,
2.9632066786089992
],
[
4.403344846542783,
9.530610481542782,
5.851186423457216
],
... | [{"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"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}] | [
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Rb",
"Zr",
"Zr",
"Zr",
"Zr",
"Fe",
"Fe",
"Fe",
"Fe",
"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",
... | 2013-11-29 08:11:56 | [
0.05263157894736842,
0.631578947368421,
0.15789473684210525,
0.10526315789473684,
0.05263157894736842
] | [] | -550.334063 | [
0,
0,
0,
0,
0,
0,
0,
0,
0.004,
0.004,
0.004,
0.004,
4.42,
4.42,
4.419,
4.42,
0.011,
0.011,
0.011,
0.011,
0.011,
0.011,
0.011,
0.011,
0.011,
0.011,
0.011,
0.011,
0.07,
0.006,
0.066,
0.006,
0.005,
0.07,
0.07,
0.005,
0.066,
0.006,
0.005,
0.0... | [] | 19.591 | 1.97537 | pbe | true | 9c8ee4b7bb182fb85218e4b900ac4aa9_198_Rb8Zr4Fe4P12O48 |
[
"Bi",
"Pd",
"Zr"
] | 4 | A2BC | BiPdZr2 | Bi1 Pd1 Zr2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.519983,
3.519983
],
[
3.519983,
0,
3.519983
],
[
3.519983,
3.519983,
0
]
] | oqmd-2323326 | [
[
3.5199799999999977,
3.5199799999999977,
3.5199799999999977
],
[
1.7600000000000011,
1.7600000000000011,
1.7600000000000011
],
[
0,
0,
0
],
[
5.27997,
5.279969999999996,
5.27997
]
] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}] | [
"Bi",
"Pd",
"Zr",
"Zr"
] | 2024-11-01 00:00:00 | [
0.25,
0.25,
0.5
] | [
[
9.00906,
0,
0
],
[
0,
9.00906,
0
],
[
0,
0,
9.00906
]
] | -26.2177 | [
-0.027,
0.057,
0.508,
0.619
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.64168 | null | pbe | true | d8b61f051819d85f2d0b04360e93668c_216_Zr2Bi1Pd1 |
[
"Bi",
"Re",
"Sb"
] | 5 | A3BC | Bi3ReSb | Re1 Bi3 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
5.33643524,
0,
0
],
[
0,
5.33643524,
0
],
[
0,
0,
5.33643524
]
] | agm002588501 | [
[
0,
0,
0
],
[
0,
2.66821762,
0
],
[
0,
0,
2.66821762
],
[
2.66821762,
0,
0
],
[
2.66821762,
2.66821762,
2.66821762
]
] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"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"]}] | [
"Re",
"Bi",
"Bi",
"Bi",
"Sb"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
1.5625044,
0,
0
],
[
0,
1.5625044,
0
],
[
0,
0,
1.5625044
]
] | -24.619737 | [
0,
-0.001,
0.001,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 3.326361 | pbe | true | 06f6bd22f935a692b12bd168279c3270_221_Re1Bi3Sb1 |
[
"As",
"Mn"
] | 4 | A3B | AsMn3 | Mn3 As1 | 2 | [
1,
1,
1
] | 3 | [
[
2.70360214,
-0.01404336,
0
],
[
0.00902459,
2.70362355,
0
],
[
0,
0,
6.80497154
]
] | agm004036703 | [
[
0,
0,
0
],
[
1.356313365,
1.344790095,
5.044286888349523
],
[
0,
0,
3.40248577
],
[
1.356313365,
1.344790095,
1.7606846516504773
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}] | [
"As",
"Mn",
"Mn",
"Mn"
] | 2023-11-16 06:57:59 | [
0.25,
0.75
] | [
[
4.514924,
0.5079767,
0
],
[
0.5079767,
4.5062556,
0
],
[
0,
0,
3.28156
]
] | -31.600075 | [
-0.039,
1.843,
-1.757,
1.843
] | [
[
0,
0,
0
],
[
0,
0,
0.01005466
],
[
0,
0,
0
],
[
0,
0,
-0.01005466
]
] | 1.912644 | 3.057199 | pbe | true | 7466ed536e2c7e9615af8c5aa2fa495c_123_Mn3As1 |
[
"Ga",
"H",
"Na",
"O",
"P"
] | 88 | A12B4C3D2E | Ga3H4NaO12P2 | Ga12 H16 Na4 O48 P8 | 5 | [
1,
1,
1
] | 3 | [
[
11.66146571,
-0.04886641,
0
],
[
-1.01060297,
7.28706086,
0
],
[
0,
0,
10.40912218
]
] | mp-759759 | [
[
1.805420443749828,
3.2767748779067594,
5.996268722071064
],
[
3.520010926250172,
0.34232234709324105,
0.7917076320710636
],
[
7.130851813749828,
6.895872102906759,
9.617414547928938
],
[
8.845442296250171,
3.9614195720932415,
4.412853457928937
],
[
... | [{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"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": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}] | [
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-0.05... | 0 | 0.339422 | pbe | true | 600f82eccf538f2ee19b8575e7a31a5c_9_Nb6Ga6Si6S12O72 |
[
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1,
1,
1
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7.240298... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}] | [
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0... | 0 | 4.449756 | pbe | true | 737dcfefc0398ed8a3d284bcfd4616ef_8_Ta2Ga2Si2Os2Pb2 |
[
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1,
1,
1
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[
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] | mp-560412 | [
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[
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1,
1,
1
] | 3 | [
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[
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1,
1,
1
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[
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1,
1,
1
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3.42942724,
0,
0
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[
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] | 3.181176 | 3.186909 | pbe | true | 7f604fea7976a924b155d52a21188a9d_25_Mn1Nb1Ge1H1I1 |
[
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1,
1,
1
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[
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0.00349214... | 0 | 0.4573 | pbe | true | c65d33bf24f000e50166a74858b0a729_9_Na18Hf6Ta6Ge18O72 |
[
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1
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[
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1
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[
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1,
1,
1
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[
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[
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[
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1
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[
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1,
1
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[
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[
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