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[ "Cl", "I", "Zn" ]
6
A3B2C
Cl3IZn2
Zn2 I1 Cl3
3
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3
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agm2000053064
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[ "Zn", "Zn", "I", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
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0
0
pbe
true
8ca8ab7b8b27e546aa17fdab7c6a1af5_6_Zn2I1Cl3
[ "Bi", "Sb", "Se" ]
10
A3BC
BiSbSe3
Bi2 Sb2 Se6
3
[ 1, 1, 1 ]
3
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agm2000068209
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[{"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": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Bi", "Bi", "Sb", "Sb", "Se", "Se", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
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-39.050006
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0
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pbe
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ca40d1395ca9001d6dba44dd63f639bc_4_Bi2Sb2Se6
[ "C", "Cu", "Na", "O", "P" ]
58
A16B6C4D2E
C4Cu2Na6O16P
C8 Cu4 Na12 O32 P2
5
[ 1, 1, 1 ]
3
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mp-771150
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2014-02-18 01:48:51
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[]
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[]
5.478
1.475925
pbe
true
60486f2a37353ec428e79891067dde59_203_Na12Cu4P2C8O32
[ "C", "Cu", "Na", "O", "S" ]
54
A16B4C4D2E
C4Cu2Na4O16S
C8 Cu4 Na8 O32 S2
5
[ 1, 1, 1 ]
3
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mp-779142
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2014-02-24 06:17:21
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[]
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0.469968
pbe
true
8ce3ff04f31ac33cea20bc2f375977df_70_Na8Cu4C8S2O32
[ "Cl", "In", "Se" ]
10
A2B2C
Cl2In2Se
In4 Se2 Cl4
3
[ 1, 1, 1 ]
3
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agm003394344
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[ "In", "In", "In", "In", "Se", "Se", "Cl", "Cl", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.4, 0.4, 0.2 ]
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-32.937613
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0
0
pbe
true
45a84ad2c2dda919af9e51aee6d75aea_2_In4Se2Cl4
[ "C", "Dy", "H", "N", "O" ]
25
A9B8C5D2E
C5DyH9N2O8
Dy1 H9 C5 N2 O8
5
[ 1, 1, 1 ]
3
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agm005283420
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2023-11-16 06:57:59
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0
0
pbe
true
20cc9071ac7cf5dcbf553866cb334cb6_5_Dy1H9C5N2O8
[ "Cl", "Ir", "Ru" ]
4
A2BC
Cl2IrRu
Ru1 Ir1 Cl2
3
[ 1, 1, 1 ]
3
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agm004041167
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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Ru", "Ir", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 1.0728836, 0, 0 ], [ 0, 1.0728836, 0 ], [ 0, 0, 1.3418819 ] ]
-20.787426
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0
4.324246
pbe
true
c342378411ff45dd3d2756e1480ab8f0_99_Ru1Ir1Cl2
[ "Co", "Mn", "P" ]
4
A2BC
CoMn2P
Mn2 Co1 P1
3
[ 1, 1, 1 ]
3
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agm003973422
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[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"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", "Mn", "Mn", "P" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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2.589461
3.787678
pbe
true
95c31cc7842a9ddf691d5a787e895f1b_10_Mn2Co1P1
[ "C", "Er", "H", "O", "P" ]
30
A7B5CDE
CErH5O7P
C2 Er2 H10 O14 P2
5
[ 1, 1, 1 ]
3
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mp-558204
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2014-02-22 11:07:22
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[]
0
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pbe
true
8c77c3481fdfe34d967612ea70a77646_2_Er2P2H10C2O14
[ "C", "Eu", "H", "I", "N" ]
48
A6B3CDE
CEuH6I3N
C4 Eu4 H24 I12 N4
5
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3
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mp-1096948
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2018-05-12 23:55:22
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27.393
2.276337
pbe
true
8975c4b3c4517a4b08f5dc430349227a_1_Eu4H24C4I12N4
[ "Bi", "Sb", "Se" ]
16
A2BC
Bi2SbSe
Bi8 Sb4 Se4
3
[ 1, 1, 1 ]
3
[ [ 7.81767038, 0.00000115, -0.03645338 ], [ 0.00000142, 7.66357176, -2.4e-7 ], [ 0.03652662, -5e-8, 8.29795127 ] ]
agm005749506
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[{"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": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}]
[ "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi", "Sb", "Sb", "Sb", "Sb", "Se", "Se", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.30747285, 9e-8, 0.069933 ], [ 9e-8, 0.235668, 0 ], [ 0.06993301, 0, 0.24815951 ] ]
-62.119559
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0
7.29541
pbe
true
3630ece39bb7601ee4810b2ebbb88f86_14_Bi8Sb4Se4
[ "C", "F", "Fe", "H", "N" ]
88
A12B5C2D2E
C2F5FeH12N2
C8 F20 Fe4 H48 N8
5
[ 1, 1, 1 ]
3
[ [ 7.99514731, 0, 0 ], [ 0, 9.6907051, 0 ], [ 0, 0, 10.16480668 ] ]
mp-559629
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"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"]}]
[ "Fe", "Fe", "Fe", "Fe", "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",...
2014-02-22 21:06:44
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[]
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[]
19.732
-1.343589
pbe
true
b2fcfa369adf93da3e6964c5085f1333_62_Fe4H48C8N8F20
[ "C", "F", "Ga", "H", "N" ]
296
A18B9C6D3E
C3F6GaH18N9
C24 F48 Ga8 H144 N72
5
[ 1, 1, 1 ]
3
[ [ 14.22982665, 0, 0 ], [ 0, 14.22982665, 0 ], [ 0, 0, 14.22982665 ] ]
mp-23984
[ [ 12.768885495516326, 11.587007321343265, 7.5461072397274975 ], [ 7.5461072397274975, 12.768885495516326, 11.587007321343265 ], [ 11.587007321343265, 7.5461072397274975, 12.768885495516326 ], [ 9.757732653656735, 6.683719410272502, 5.653972170516325 ], ...
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[ "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", "...
2014-02-19 05:47:09
[ 0.08108108108108109, 0.16216216216216217, 0.02702702702702703, 0.4864864864864865, 0.24324324324324326 ]
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-1,668.52959
[]
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null
-1.418713
pbe
true
c934a9c449ee118663a0fa8677f78a04_205_Ga8H144C24N72F48
[ "Bi", "Sb", "Sm" ]
10
A5B4C
BiSb5Sm4
Sm4 Bi1 Sb5
3
[ 1, 1, 1 ]
3
[ [ 4.48084849, 0, 0 ], [ 0, 4.48084849, 0 ], [ -2.24042425, -2.24042424, 15.94454332 ] ]
agm003653157
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[{"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": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]
[ "Sm", "Sm", "Sm", "Sm", "Bi", "Sb", "Sb", "Sb", "Sb", "Sb" ]
2023-11-16 06:57:59
[ 0.1, 0.5, 0.4 ]
[ [ 0.7124922, 0, 0 ], [ 0, 0.7124922, 0 ], [ 0, 0, 0.7080638 ] ]
-52.250889
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0.000001
1.908013
pbe
true
d46b22630d5a3c2d2ecdc23197611694_139_Sm4Bi1Sb5
[ "C", "F", "H", "N", "O" ]
76
A8B5C3D2E
C5F8HN3O2
C20 F32 H4 N12 O8
5
[ 1, 1, 1 ]
3
[ [ 10.09878514, 0, -2.61442948 ], [ 0, 6.83530272, 0 ], [ -0.00856286, 0, 14.07338768 ] ]
mp-707177
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"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"]}]
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2013-12-22 03:10:49
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[]
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[]
0
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pbe
true
f424494f3fc34e8fc0d659fcf154d73f_14_H4C20N12O8F32
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52
A12B6C5D2E
C2F5H12N6Sb
C4 F10 H24 N12 Sb2
5
[ 1, 1, 1 ]
3
[ [ 6.84605466, 4.2559338, -4.14276116 ], [ -6.84605466, 4.2559338, 4.14276116 ], [ -0.00569238, 0, 9.77613107 ] ]
mp-697558
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2014-05-03 17:16:03
[ 0.07692307692307693, 0.19230769230769232, 0.46153846153846156, 0.23076923076923078, 0.038461538461538464 ]
[]
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[]
0
-1.227052
pbe
true
54d85380a05a4af467e21505e6cb883d_12_Sb2H24C4N12F10
[ "C", "F", "H", "N", "Sb" ]
60
A6B4C3DE
CF4H6N3Sb
C4 F16 H24 N12 Sb4
5
[ 1, 1, 1 ]
3
[ [ 5.16422846, 0, 0 ], [ 0, 10.63327977, 0 ], [ 0, 0, 12.50923608 ] ]
mp-722866
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"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": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Sb", "Sb", "Sb", "Sb", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "C", "C", "C", "C", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "F",...
2014-01-06 01:25:45
[ 0.06666666666666667, 0.26666666666666666, 0.4, 0.2, 0.06666666666666667 ]
[]
-329.20088
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[]
0
0.071325
pbe
true
c2e300acc83247a6a04b46d2e93db8a4_19_Sb4H24C4N12F16
[ "Bi", "Sc", "Sn" ]
4
A2BC
BiScSn2
Sc1 Sn2 Bi1
3
[ 1, 1, 1 ]
3
[ [ 4.95383401, 0, 0 ], [ 0, 4.61795144, 0 ], [ 0, 0, 4.61795144 ] ]
agm001224109
[ [ 2.476917005, 0, 0 ], [ 2.476917005, 2.30897572, 2.30897572 ], [ 0, 0, 2.30897572 ], [ 0, 2.30897572, 0 ] ]
[{"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": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}]
[ "Sc", "Bi", "Sn", "Sn" ]
2023-11-16 06:57:59
[ 0.25, 0.25, 0.5 ]
[ [ 2.9951699, 0, 0 ], [ 0, 3.2972598, 0 ], [ 0, 0, 3.2972598 ] ]
-19.026123
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000006
2.888563
pbe
true
1f12a9effb26dbc13b9c8b0a99ac79db_123_Sc1Sn2Bi1
[ "C", "F", "H", "O", "Sb" ]
32
A6B4C3D2E
C2F6H3O4Sb
C4 F12 H6 O8 Sb2
5
[ 1, 1, 1 ]
3
[ [ 4.91140642, 4.573045, -4.31134376 ], [ -4.91140642, 4.573045, 4.31134376 ], [ -0.03215168, 0, 8.60186251 ] ]
mp-698527
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"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": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]
[ "Sb", "Sb", "H", "H", "H", "H", "H", "H", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]
2013-12-03 18:36:53
[ 0.125, 0.375, 0.1875, 0.25, 0.0625 ]
[]
-178.181888
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[]
0
-1.20294
pbe
true
2166e498cbb352ff711d9a74b3bd6765_9_Sb2H6C4O8F12
[ "C", "F", "I", "N", "O" ]
52
A6B3C2DE
CF3IN2O6
C4 F12 I4 N8 O24
5
[ 1, 1, 1 ]
3
[ [ 8.88527075, 0, -2.26392212 ], [ 0, 8.9224986, 0 ], [ 0.00165113, 0, 10.55431969 ] ]
mp-555996
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"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"]}]
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2014-03-06 11:55:46
[ 0.07692307692307693, 0.23076923076923078, 0.07692307692307693, 0.15384615384615385, 0.46153846153846156 ]
[]
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[]
0
-1.226432
pbe
true
188808a6367363553dc1c476f8b4bf3a_14_C4I4N8O24F12
[ "Cu", "In", "O", "P" ]
50
A16B4C3D2
Cu3In2O16P4
In4 Cu6 P8 O32
4
[ 1, 1, 1 ]
3
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agm003276241
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2023-11-16 06:57:59
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mp-559646
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2014-03-06 18:51:51
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agm003240485
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2023-11-16 06:57:59
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C5F5MnO6Te
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mp-650943
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2014-03-03 21:22:44
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A3B2CDE
CF3NO2S
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5
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mp-559873
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2014-02-23 14:34:11
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Al5Zn3
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2
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agm2000115655
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2023-11-16 06:57:59
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agm002135742
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2023-11-16 06:57:59
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mp-559833
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2014-03-07 09:00:38
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5
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mp-560900
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2014-03-06 21:13:22
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2023-11-16 06:57:59
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2023-11-16 06:57:59
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a9e3a5acd553359057384281e2f6d889_11_K4Fe2P2C2O14
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AB
AsBa
Ba2 As2
2
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agm003881781
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[ "As", "As", "Ba", "Ba" ]
2023-11-16 06:57:59
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2.329675
pbe
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62c794878f23e58745c587f5d9f98297_74_Ba2As2
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22
A7BCDE
CFeLiO7P
Li2 Fe2 P2 C2 O14
5
[ 1, 1, 1 ]
3
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agm005283053
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[{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"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": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}]
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2023-11-16 06:57:59
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8.070143
11.512078
pbe
true
58ab10fd33d0870a94ec0df403dac60d_4_Li2Fe2P2C2O14
[ "Bi", "Sc", "Zn" ]
10
A2B2C
Bi2ScZn2
Sc2 Zn4 Bi4
3
[ 1, 1, 1 ]
3
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agm003015987
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[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Sc", "Sc", "Zn", "Zn", "Zn", "Zn", "Bi", "Bi", "Bi", "Bi" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 3.8220692, 0, 0 ], [ 0, 3.8220692, 0 ], [ 0, 0, -3.4831417 ] ]
-34.014963
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6.236826
pbe
true
da24ba957bb7628aec1b02d3f56db543_127_Sc2Zn4Bi4
[ "C", "Fe", "Li", "O", "S" ]
48
A7B2CDE
CFeLi2O7S
C4 Fe4 Li8 O28 S4
5
[ 1, 1, 1 ]
3
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mp-771011
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"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": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Fe", "Fe", "Fe", "Fe", "C", "C", "C", "C", "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"...
2020-06-04 08:04:38
[ 0.08333333333333333, 0.08333333333333333, 0.16666666666666666, 0.5833333333333334, 0.08333333333333333 ]
[ [ 2.48978481, 0.07622976, 0.34180699 ], [ 0.07622977, 1.56999038, 0.0257434 ], [ 0.33979647, 0.03453889, 1.83290153 ] ]
-310.209597
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0
0.835094
pbe
true
d0e2f58ca95d3375532a11450ce16139_2_Li8Fe4C4S4O28
[ "C", "Fe", "Mn", "O", "Sn" ]
180
A19B19C3D2E2
C19Fe3Mn2O19Sn2
C76 Fe12 Mn8 O76 Sn8
5
[ 1, 1, 1 ]
3
[ [ 9.5789287, 0, -1.01476147 ], [ 0, 11.41148679, 0 ], [ 0.00151089, 0, 27.92808143 ] ]
mp-704255
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"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": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]
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2013-12-12 19:37:41
[ 0.4222222222222222, 0.06666666666666667, 0.044444444444444446, 0.4222222222222222, 0.044444444444444446 ]
[]
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[]
0.064
0.98337
pbe
true
36bb1a4ab1945f6e03de37efdf9d51e5_14_Mn8Fe12Sn8C76O76
[ "As", "Be" ]
10
A3B2
As2Be3
Be6 As4
2
[ 1, 1, 1 ]
3
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agm2000019165
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[ "Be", "Be", "Be", "Be", "Be", "Be", "As", "As", "As", "As" ]
2023-11-16 06:57:59
[ 0.4, 0.6 ]
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-39.24083
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0.000006
2.182275
pbe
true
153069dcfbca1fad5ddabdb514696583_53_Be6As4
[ "As", "Br" ]
6
A5B
AsBr5
As1 Br5
2
[ 1, 1, 1 ]
3
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agm005455256
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}]
[ "As", "Br", "Br", "Br", "Br", "Br" ]
2023-11-16 06:57:59
[ 0.16666666666666666, 0.8333333333333334 ]
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-12.555624
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0.691639
4.631585
pbe
true
08b9ad9a3d7b528ccb673bfa4dc0065e_38_As1Br5
[ "Cl", "Ir", "Ru" ]
4
A2BC
ClIr2Ru
Ir2 Ru1 Cl1
3
[ 1, 1, 1 ]
3
[ [ 5.12971931, -0.00887953, -0.01542526 ], [ 4.36750507, 2.69053869, -0.01542526 ], [ 0.10435504, 0.02946594, 4.37228736 ] ]
agm003907847
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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Cl", "Ir", "Ir", "Ru" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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-26.291856
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0.000037
4.416044
pbe
true
bab7e8f1a34c15671e9b81b7b0b3d3ce_12_Ir2Ru1Cl1
[ "C", "Fe", "Na", "O", "P" ]
52
A7B3CDE
CFeNa3O7P
C4 Fe4 Na12 O28 P4
5
[ 1, 1, 1 ]
3
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mp-771337
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"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"]}]
[ "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Na", "Fe", "Fe", "Fe", "Fe", "P", "P", "P", "P", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", ...
2020-06-05 10:53:02
[ 0.07692307692307693, 0.07692307692307693, 0.23076923076923078, 0.5384615384615384, 0.07692307692307693 ]
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-336.401393
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1.765511
pbe
true
8f5a30c6a0ee7c4bc2b4bb2abca92fca_4_Na12Fe4P4C4O28
[ "C", "Fe", "O", "Te", "W" ]
50
A10B10C2D2E
C10Fe2O10Te2W
C20 Fe4 O20 Te4 W2
5
[ 1, 1, 1 ]
3
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mp-559754
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"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": "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"]}]
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2014-02-18 06:52:53
[ 0.4, 0.08, 0.4, 0.08, 0.04 ]
[]
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[]
0
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pbe
true
64717ad57de2510482ac729f169cd4b8_2_Fe4Te4W2C20O20
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192
A12B5C4D2E
C4H12Hg2I5N
C32 H96 Hg16 I40 N8
5
[ 1, 1, 1 ]
3
[ [ 14.26063338, 0, 0 ], [ 0, 14.78457096, 0 ], [ 0, 0, 18.57608113 ] ]
mp-605752
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2013-05-25 13:59:41
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[]
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[]
0
0.776247
pbe
true
e13c6bb5a835bf9602829b4412007c26_61_Hg16H96C32I40N8
[ "Cl", "Ir", "Se" ]
3
ABC
ClIrSe
Ir1 Se1 Cl1
3
[ 1, 1, 1 ]
3
[ [ 4.36331, 0, 0 ], [ 2.181655, 3.7787373, 0 ], [ 2.181655, 1.2595791, 3.5626277 ] ]
agm003960947
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[ "Cl", "Ir", "Se" ]
2023-11-16 06:57:59
[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]
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-9.837794
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-0.000022
1.843256
pbe
true
b07091b13ea18737b69df8924d7c3d05_216_Ir1Se1Cl1
[ "C", "H", "Ho", "O", "P" ]
30
A7B5CDE
CH5HoO7P
C2 H10 Ho2 O14 P2
5
[ 1, 1, 1 ]
3
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mp-557828
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2014-02-22 08:20:00
[ 0.06666666666666667, 0.3333333333333333, 0.06666666666666667, 0.4666666666666667, 0.06666666666666667 ]
[]
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[]
0
-0.376749
pbe
true
2465000638a5e177d13909c1e0392a9e_2_Ho2P2H10C2O14
[ "C", "H", "I", "N", "O" ]
84
A12B4C3DE
C4H12INO3
C16 H48 I4 N4 O12
5
[ 1, 1, 1 ]
3
[ [ 7.18364444, 0, 0 ], [ 0, 8.6412332, 0 ], [ 0, 0, 13.67327153 ] ]
mp-554527
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2014-03-06 22:08:34
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[]
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[]
0
-0.373612
pbe
true
9f290f996fae9c2965ee3b1d8d26db8d_62_H48C16I4N4O12
[ "Bi", "Sc", "Zr" ]
8
A2BC
BiSc2Zr
Zr2 Sc4 Bi2
3
[ 1, 1, 1 ]
3
[ [ 8.2575974, 0, 0 ], [ 0, 8.2575974, 0 ], [ 4.1287987, 4.1287987, 3.0303052 ] ]
agm002886493
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[ "Sc", "Sc", "Sc", "Sc", "Bi", "Bi", "Zr", "Zr" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 2.158295, 0, 0 ], [ 0, 2.158295, 0 ], [ 0, 0, 4.076614 ] ]
-48.946551
[ 0.014, 0.015, 0.016, 0.016, 0.001, 0, -0.015, -0.014 ]
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0.038005
8.669133
pbe
true
bccaf01b85251d4add4689ab1c52ebb5_122_Zr2Sc4Bi2
[ "Co", "Mn", "Ru" ]
3
ABC
CoMnRu
Mn1 Co1 Ru1
3
[ 1, 1, 1 ]
3
[ [ 2.59025347, 0, 0 ], [ -1.29512673, 2.2432253, 0 ], [ 0, 0, 6.21843129 ] ]
agm004090510
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[ "Co", "Mn", "Ru" ]
2023-11-16 06:57:59
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-25.043671
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0.592314
3.932092
pbe
true
c600758a0630a4298f6732ebf9924ce9_156_Mn1Co1Ru1
[ "C", "H", "I", "N", "Zr" ]
392
A32B10C5DE
C10H32IN5Zr
C80 H256 I8 N40 Zr8
5
[ 1, 1, 1 ]
3
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mp-1195791
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2019-01-12 01:05:27
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-2,103.223705
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0
-0.358955
pbe
true
8491b820c11e6fe25dcfb5e8b77cba08_61_Zr8H256C80I8N40
[ "C", "H", "In", "O", "Si" ]
248
A41B15C4DE
C15H41InOSi4
C60 H164 In4 O4 Si16
5
[ 1, 1, 1 ]
3
[ [ 0, -9.59639974, 0 ], [ -17.00174654, 0, 2.63251753 ], [ 0.00491838, 0, -17.31482752 ] ]
mp-1197352
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]
[ "In", "In", "In", "In", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H...
2019-01-12 02:20:42
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-1,280.414067
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0
-1.240348
pbe
true
7bb8ac9814eb752527e479fe8a805ceb_14_In4Si16H164C60O4
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160
A22B8C6D3E
C3H22IrN6O8
C12 H88 Ir4 N24 O32
5
[ 1, 1, 1 ]
3
[ [ 9.70501299, 0, 0 ], [ 0, 10.42605266, 0 ], [ 0, 0, 13.47259468 ] ]
mp-698362
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"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"]}]
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2014-05-03 08:32:38
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[]
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[]
0
0.983693
pbe
true
de3cac25402eb9231e969e6ad121edbf_58_H88Ir4C12N24O32
[ "C", "H", "K", "N", "O" ]
98
A25B13C8D2E
C13H25KN2O8
C26 H50 K2 N4 O16
5
[ 1, 1, 1 ]
3
[ [ -0.18696017, 0, 8.64000274 ], [ 8.44446164, 0, -1.70909827 ], [ 0, 14.71688157, 0 ] ]
mp-1196190
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2019-01-12 01:24:33
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0
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pbe
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766835cfa4b57e80607fe3a9070a2a25_7_K2H50C26N4O16
[ "C", "H", "K", "O", "Sc" ]
60
A10B4C4DE
C4H4KO10Sc
C12 H12 K3 O30 Sc3
5
[ 1, 1, 1 ]
3
[ [ 8.96324436, 0, 0 ], [ -4.48162218, 7.76239685, 0 ], [ 0, 0, 11.59718952 ] ]
mp-554515
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2014-03-06 13:32:25
[ 0.2, 0.2, 0.05, 0.5, 0.05 ]
[]
-413.336614
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[]
0
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pbe
true
ab4b2e1bf4ef6d9db924d94249018df3_180_K3Sc3H12C12O30
[ "C", "H", "Li", "N", "Si" ]
248
A18B6C4D2E
C6H18Li2N4Si
C48 H144 Li16 N32 Si8
5
[ 1, 1, 1 ]
3
[ [ 9.00091476, 6.65048558, -4.82796268 ], [ -9.00091476, 6.65048558, 4.82796268 ], [ 8.73166997, -6.65048558, 16.47844532 ] ]
mp-1197528
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[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "Si", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", ...
2019-01-12 02:29:16
[ 0.1935483870967742, 0.5806451612903226, 0.06451612903225806, 0.12903225806451613, 0.03225806451612903 ]
[ [ 0.60835524, 0, -0.70020656 ], [ 0, -0.78798865, 0 ], [ -0.70020665, 0, 0.23971183 ] ]
-1,329.019159
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0
2.55153
pbe
true
686f3395f64d800bd906b80607b912ec_15_Li16Si8H144C48N32
[ "C", "H", "Li", "Ni", "O" ]
46
A10B8C2D2E
C2H8Li2NiO10
C4 H16 Li4 Ni2 O20
5
[ 1, 1, 1 ]
3
[ [ 11.29861527, 0, 0.27322024 ], [ 0, 5.89106951, 0 ], [ -0.95855365, 0, 5.98328086 ] ]
mp-771916
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2014-02-18 11:13:46
[ 0.08695652173913043, 0.34782608695652173, 0.08695652173913043, 0.043478260869565216, 0.43478260869565216 ]
[]
-261.853087
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[]
3.96
0.129298
pbe
true
baf91ee06c2cdb27a893e2d768f38ba4_14_Li4Ni2H16C4O20
[ "Bi", "Se", "Sn" ]
10
A2B2C
Bi2SeSn2
Sn4 Bi4 Se2
3
[ 1, 1, 1 ]
3
[ [ 8.28376942, 0, 0 ], [ 0, 8.28376942, 0 ], [ 0, 0, 4.52922771 ] ]
agm003016957
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"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"]}]
[ "Bi", "Bi", "Bi", "Bi", "Se", "Se", "Sn", "Sn", "Sn", "Sn" ]
2023-11-16 06:57:59
[ 0.4, 0.2, 0.4 ]
[ [ 1.2572542, 0, 0 ], [ 0, 1.2572542, 0 ], [ 0, 0, 2.201627 ] ]
-37.440571
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0
5.551148
pbe
true
c6d846c6580606845a67f665373f16f7_127_Sn4Bi4Se2
[ "C", "H", "Mn", "N", "O" ]
96
A11B6C5DE
C5H11MnNO6
C20 H44 Mn4 N4 O24
5
[ 1, 1, 1 ]
3
[ [ 8.36396401, 0, 0 ], [ 0, 9.1714445, 0 ], [ 0, 0, 12.18086423 ] ]
mp-557509
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"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"]}]
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2014-02-23 14:16:33
[ 0.20833333333333334, 0.4583333333333333, 0.041666666666666664, 0.041666666666666664, 0.25 ]
[]
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[]
19.134
0.906372
pbe
true
83be65cd5182204deb131de44800a3d0_33_Mn4H44C20N4O24
[ "C", "H", "Mn", "N", "S" ]
66
A21B7C3DE
C7H21MnNS3
C14 H42 Mn2 N2 S6
5
[ 1, 1, 1 ]
3
[ [ 9.727884, 0, 0 ], [ -2.01115, 9.728871, 0 ], [ -2.955059, -5.436612, 7.845454 ] ]
mp-654906
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
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2013-09-21 17:31:23
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[]
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[]
-4.814
-0.071052
pbe
true
751a329cd09418a165276d88d3b33a27_2_Mn2H42C14S6N2
[ "C", "H", "Mn", "N", "Se" ]
192
A30B6C6D5E
C6H30MnN6Se5
C24 H120 Mn4 N24 Se20
5
[ 1, 1, 1 ]
3
[ [ 0, 0, -8.83238205 ], [ 0, -12.83293545, 0 ], [ -20.52519178, 0, 0 ] ]
mp-1225968
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}]
[ "Mn", "Mn", "Mn", "Mn", "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",...
2019-01-13 02:00:16
[ 0.125, 0.625, 0.020833333333333332, 0.125, 0.10416666666666667 ]
[ [ 1.02318765, 0, 0 ], [ 0, -1.4412272, 0 ], [ 0, 0, -1.69768302 ] ]
-973.331514
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18.492
0.74042
pbe
true
03c85bcd03a917be76ec99b000a45f86_52_Mn4H120C24Se20N24
[ "C", "H", "Mo", "O", "Sn" ]
96
A12B5C4D2E
C4H12MoO5Sn2
C16 H48 Mo4 O20 Sn8
5
[ 1, 1, 1 ]
3
[ [ 8.54121502, 0, -0.22427372 ], [ 0, 11.92212023, 0 ], [ 0.01462809, 0, 12.66183298 ] ]
mp-1196260
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"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": "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"]}]
[ "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "Sn", "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"...
2019-01-12 01:27:56
[ 0.16666666666666666, 0.5, 0.041666666666666664, 0.20833333333333334, 0.08333333333333333 ]
[ [ 0.69982754, 0, -1.39310047 ], [ 0, -0.74077576, 0 ], [ -1.39310018, 0, -0.98298166 ] ]
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mp-632685
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2013-06-21 10:44:59
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C4 H20 N8 Ni2 O12
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mp-735029
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2014-01-20 08:39:39
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mp-572503
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2013-09-21 07:16:26
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A8B6C4D3E
C4H8N3NiO6
C16 H32 N12 Ni4 O24
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mp-1220880
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2019-01-12 21:39:29
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A20B12C10D4E
C4H20N10NiO12
C8 H40 N20 Ni2 O24
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mp-1210542
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2019-01-12 13:04:09
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A4B4C2D2E
C2H4N2NiS4
C8 H16 N8 Ni4 S16
5
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mp-600159
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2013-05-22 17:27:13
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[]
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A17B13C10D3E
C17H13NO10Os3
C17 H13 N1 O10 Os3
5
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oqmd-9995065
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2024-11-01 00:00:00
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A3BCD
CuKPrTe3
Cu1 K1 Pr1 Te3
4
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3
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oqmd-9022656
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2024-11-01 00:00:00
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pbe
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A8B2C2DE
C2H8NO2P
C8 H32 N4 O8 P4
5
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mp-561521
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2014-03-07 04:45:39
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[]
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C6H18N3OP
C12 H36 N6 O2 P2
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3
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mp-777777
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2014-02-23 00:13:40
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64
A8B4C2DE
C2H8NO4P
C8 H32 N4 O16 P4
5
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3
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mp-708955
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2013-12-27 21:42:57
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5
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mp-1220474
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2019-01-12 21:18:54
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0
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A17B8C4D2E
C4H17NO8P2
C16 H68 N4 O32 P8
5
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3
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mp-559679
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2014-02-23 01:48:59
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A2BC
BiSeTh2
Th2 Bi1 Se1
3
[ 1, 1, 1 ]
3
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agm001243180
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[ "Se", "Bi", "Th", "Th" ]
2023-11-16 06:57:59
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-25.843162
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pbe
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A10B8C2DE
CH10N8O2Pt
C2 H20 N16 O4 Pt2
5
[ 1, 1, 1 ]
3
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mp-604702
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2014-02-14 22:33:18
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[]
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4
A2BC
BiSe2Tl
Tl1 Bi1 Se2
3
[ 1, 1, 1 ]
3
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agm002735915
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[ "Tl", "Bi", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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-13.760808
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0
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A4B3C3DE
CH4N3O3S
C4 H16 N12 O12 S4
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mp-721301
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2014-01-05 07:05:55
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[]
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A7B4C3DE
CH7N3O4S
C4 H28 N12 O16 S4
5
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3
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mp-735063
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2014-01-16 20:07:27
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A24B8C4D2E
C8H24N2O4S
C16 H48 N4 O8 S2
5
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mp-707249
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2013-12-22 07:24:11
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mp-1205249
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2019-01-12 08:47:26
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mp-1204102
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2019-01-12 07:50:13
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mp-677203
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2013-11-16 18:43:54
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C8H16N4O8Si
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mp-1194877
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2019-01-12 00:21:58
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A14B8C4D2E
C2H14N4O8Te
C4 H28 N8 O16 Te2
5
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3
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mp-758675
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2014-05-06 10:42:07
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agm003260920
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2023-11-16 06:57:59
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AsRu2Ta
Ta1 As1 Ru2
3
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agm003799247
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2023-11-16 06:57:59
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Cu3La8LiO16
Li1 La8 Cu3 O16
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agm005242204
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2023-11-16 06:57:59
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A4B4C2DE
C4HN4PdRb2
C16 H4 N16 Pd4 Rb8
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mp-1209885
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[ "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "H", "H", "H", "H", "Pd", "Pd", "Pd", "Pd", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N"...
2019-01-12 12:35:13
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1.656
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pbe
true
a423d39fc412e7db7fab585b44e4451d_52_Rb8H4Pd4C16N16
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88
A8B7C4D2E
C2H8NS7Sb4
C8 H32 N4 S28 Sb16
5
[ 1, 1, 1 ]
3
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mp-736261
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[ "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "Sb", "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", ...
2014-01-17 07:30:31
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[]
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[]
0
2.883201
pbe
true
7284668e74c941032830def428828315_64_Sb16H32C8S28N4
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116
A12B9C5D2E
C5H9NaO12Rh2
C20 H36 Na4 O48 Rh8
5
[ 1, 1, 1 ]
3
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mp-1201841
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"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": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]
[ "Na", "Na", "Na", "Na", "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", "Rh", "Rh", "Rh", "Rh", ...
2019-01-12 05:59:09
[ 0.1724137931034483, 0.3103448275862069, 0.034482758620689655, 0.41379310344827586, 0.06896551724137931 ]
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-716.041114
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0
0.523204
pbe
true
eaead59e75e0faf761be20698e622e5a_14_Na4H36Rh8C20O48
[ "Bi", "Se", "Zn" ]
4
A2BC
BiSe2Zn
Zn1 Bi1 Se2
3
[ 1, 1, 1 ]
3
[ [ 2.10892254, 0, 8.83973261 ], [ -1.05446127, 1.82638049, 8.83973261 ], [ -1.05446127, -1.82638049, 8.83973261 ] ]
agm002786423
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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Bi", "Se", "Se" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
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-12.800358
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0
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pbe
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d8290e31bb69cee8d9b26498eaf5b1c1_166_Zn1Bi1Se2
[ "C", "H", "Nd", "O", "P" ]
24
A6B2C2DE
CH2NdO6P2
C2 H4 Nd2 O12 P4
5
[ 1, 1, 1 ]
3
[ [ -0.0221386, -3e-8, -5.36920985 ], [ 7.84285321, -3e-8, 2.34928894 ], [ -3.91035774, -7.15295092, 1.50996088 ] ]
mp-1191082
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"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": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]
[ "Nd", "Nd", "P", "P", "P", "P", "H", "H", "H", "H", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-11 21:26:19
[ 0.08333333333333333, 0.16666666666666666, 0.08333333333333333, 0.5, 0.16666666666666666 ]
[ [ 0.8363007, -2e-8, -1.28941042 ], [ -2e-8, -0.12493414, 1e-8 ], [ -1.28941041, 1e-8, -1.20910783 ] ]
-165.916196
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1.692
0.460268
pbe
true
af059e63edc8e19a85bbb8d26830970c_12_Nd2P4H4C2O12
[ "C", "H", "O", "P", "Pb" ]
54
A3B3CDE
CH3O3PPb
C6 H18 O18 P6 Pb6
5
[ 1, 1, 1 ]
3
[ [ 10.89388232, -0.02201507, -5.39953984 ], [ -8.69676752, 6.56074652, -5.39954027 ], [ -0.00739762, -0.02201491, 12.15860401 ] ]
mp-559039
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"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"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]
[ "P", "P", "P", "P", "P", "P", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "Pb", "Pb", "Pb", "Pb", "Pb", "Pb", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O...
2014-03-07 03:05:32
[ 0.1111111111111111, 0.3333333333333333, 0.3333333333333333, 0.1111111111111111, 0.1111111111111111 ]
[]
-321.513537
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[]
0
-0.166967
pbe
true
c67cdbf41a8bbe01b6f096d16c087f60_148_P6H18Pb6C6O18
[ "As", "Ta", "Te" ]
4
A2BC
AsTa2Te
Ta2 Te1 As1
3
[ 1, 1, 1 ]
3
[ [ 0, 3.32352626, 3.32352626 ], [ 3.32352626, 0, 3.32352626 ], [ 3.32352626, 3.32352626, 0 ] ]
agm002637564
[ [ 0, 0, 0 ], [ 3.32352626, 3.32352626, 3.32352626 ], [ 1.66176313, 1.66176313, 1.66176313 ], [ 4.98528939, 4.98528939, 4.98528939 ] ]
[{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]
[ "As", "Te", "Ta", "Ta" ]
2023-11-16 06:57:59
[ 0.25, 0.5, 0.25 ]
[ [ 3.4577045, 0, 0 ], [ 0, 3.4577045, 0 ], [ 0, 0, 3.4577045 ] ]
-31.413081
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
0.000003
6.183552
pbe
true
d58fed8713ec4630e91762f5664154ca_225_Ta2Te1As1
[ "As", "Cl" ]
6
A2B
As2Cl
As4 Cl2
2
[ 1, 1, 1 ]
3
[ [ -3.96952264, 3.96952264, 2.55783396 ], [ 3.96952264, -3.96952264, 2.55783396 ], [ 3.96952264, 3.96952264, -2.55783396 ] ]
agm005471922
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[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}]
[ "As", "As", "As", "As", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.6666666666666666, 0.3333333333333333 ]
[ [ -0.09831971, 0, 0 ], [ 0, -0.09831971, 0 ], [ 0, 0, -0.38957953 ] ]
-20.290832
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0
2.106878
pbe
true
9f8109176aa482ffdf6312e51cc7e0ba_140_As4Cl2
[ "C", "H", "O", "Rb", "S" ]
152
A7B5C5DE
C7H5O5RbS
C56 H40 O40 Rb8 S8
5
[ 1, 1, 1 ]
3
[ [ 7.2359787, 0, 0 ], [ 0, 10.53901473, 0 ], [ 0, 0, 25.93309737 ] ]
mp-604583
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"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": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
[ "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "Rb", "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", ...
2013-05-24 23:36:46
[ 0.3684210526315789, 0.2631578947368421, 0.2631578947368421, 0.05263157894736842, 0.05263157894736842 ]
[]
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[]
0
-0.288123
pbe
true
94ea31bb3f3341c09ce71078109f9bfa_61_Rb8H40C56S8O40
[ "C", "H", "O", "S", "Zn" ]
34
A6B6C2D2E
C2H6O6S2Zn
C4 H12 O12 S4 Zn2
5
[ 1, 1, 1 ]
3
[ [ 3.77145044, 5.53945909, -1.8752688 ], [ -3.77145044, 5.53945909, 1.8752688 ], [ 0.06185254, 0, 9.12372508 ] ]
mp-698301
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[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]
[ "Zn", "Zn", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "C", "C", "C", "C", "S", "S", "S", "S", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2014-05-03 18:58:23
[ 0.11764705882352941, 0.35294117647058826, 0.35294117647058826, 0.11764705882352941, 0.058823529411764705 ]
[]
-180.959572
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[]
0
0.379673
pbe
true
6b48784aba27d9283e47608eb067f7ee_9_Zn2H12C4S4O12
[ "C", "H", "O", "Th", "U" ]
38
A20B8C8DE
C8H8O20ThU
C8 H8 O20 Th1 U1
5
[ 1, 1, 1 ]
3
[ [ 5.46377906, 4.34081879, 0 ], [ -5.46377906, 4.34081879, 0 ], [ 0, 0, 9.61195251 ] ]
mp-1217479
[ [ 0, 0, 0 ], [ 0, 4.34081879, 4.805976255 ], [ -3.12224102927311, 4.998091420112544, 5.260522317253571 ], [ 3.1222410292731104, 3.683546159887456, 5.260522317253571 ], [ 3.12224102927311, 4.998091420112544, 4.351430192746428 ], [ -3...
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"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": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}]
[ "Th", "U", "H", "H", "H", "H", "H", "H", "H", "H", "C", "C", "C", "C", "C", "C", "C", "C", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]
2019-01-12 18:48:30
[ 0.21052631578947367, 0.21052631578947367, 0.5263157894736842, 0.02631578947368421, 0.02631578947368421 ]
[ [ -3.34694801, 0, 0 ], [ 0, -1.77028374, 0 ], [ 0, 0, 0.62045703 ] ]
-273.781575
[ 0.001, 1.989, 0, 0, 0, 0, 0, 0, 0, 0, 0.002, 0.002, 0.002, 0.002, 0.002, 0.002, 0.002, 0.002, -0.01, -0.01, -0.01, -0.01, 0, 0, 0, 0, -0.002, -0.002, 0, 0, -0.009, -0.009, -0.01, -0.01, 0.001, 0.001, 0.001, 0.001 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0471002, 0.01844913, -0.01356623 ], [ -0.0471002, -0.01844913, -0.01356623 ], [ -0.0471002, 0.01844913, 0.01356623 ], [ 0.0471002, -0.01844913, 0.01356623 ], [ -0.0227003, -0.0261620...
1.928
1.666142
pbe
true
e25208f942ee76434f15fd14b9fef092_21_Th1U1H8C8O20
[ "Cl", "Ir", "Se" ]
4
A2BC
Cl2IrSe
Ir1 Se1 Cl2
3
[ 1, 1, 1 ]
3
[ [ 4.59972873, 0.00213596, 0 ], [ -0.00371487, 4.59973144, 0 ], [ -2.29800473, -2.3009337, 3.25306101 ] ]
agm003915635
[ [ 2.29800693, 2.3009337000000003, 0 ], [ 2.299865465, 0.0010679800000001904, 1.626530505 ], [ 0, 0, 0 ], [ -0.0018563350000000423, 2.29986572, 1.626530505 ] ]
[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}]
[ "Ir", "Se", "Cl", "Cl" ]
2023-11-16 06:57:59
[ 0.5, 0.25, 0.25 ]
[ [ 0.6181363, 0.24296501, 2.5e-7 ], [ 0.24296501, 0.61875534, 0 ], [ 2.5e-7, 0, 0.375481 ] ]
-13.103232
[ 0, 0, 0, 0 ]
[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]
-0.000027
2.338314
pbe
true
b166bab9f971c6209160d0aa79a7ed1d_216_Ir1Se1Cl2
[ "C", "Hg", "K", "N", "S" ]
44
A3B3C3DE
C3HgKN3S3
C12 Hg4 K4 N12 S12
5
[ 1, 1, 1 ]
3
[ [ 4.10727795, 0, 0 ], [ 0, 12.06532751, -0.3576557 ], [ 0, 0.0547754, 19.08281807 ] ]
mp-622196
[ [ 1.1876068509719733, 1.1890229096718932, 13.136318205965033 ], [ 2.9196710990280272, 10.931080000328107, 5.588844164034967 ], [ 0.8660321240280271, 7.1942989646718924, 3.4160813209650325 ], [ 3.241245825971973, 4.925803945328106, 15.309081049034965 ], ...
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"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": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
[ "K", "K", "K", "K", "Hg", "Hg", "Hg", "Hg", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "S", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N" ]
2014-02-15 20:09:09
[ 0.2727272727272727, 0.09090909090909091, 0.09090909090909091, 0.2727272727272727, 0.2727272727272727 ]
[]
-265.015339
[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]
[]
0
0.596859
pbe
true
32d2481f7eae2d5ba6f25f69ddddc0f2_14_K4Hg4C12S12N12
[ "C", "Hg", "Mn", "N", "S" ]
168
A6B6C6D2E
C6Hg2MnN6S6
C48 Hg16 Mn8 N48 S48
5
[ 1, 1, 1 ]
3
[ [ 11.50599013, 0, -2.15902361 ], [ 0, 14.38687999, 0 ], [ 0.01755576, 0, 20.916995 ] ]
mp-645044
[ [ 10.97039306085073, 3.207204573242744, 8.161705265211214 ], [ 0.5531528291492693, 11.179675416757258, 10.596266124788785 ], [ 10.97917094085073, 3.986235421757257, 18.620202765211214 ], [ 0.5443749491492694, 10.400644568242743, 0.13776862478878588 ], ...
[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}]
[ "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Mn", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", "C", ...
2013-06-30 03:02:53
[ 0.2857142857142857, 0.09523809523809523, 0.047619047619047616, 0.2857142857142857, 0.2857142857142857 ]
[]
-1,085.609493
[ 4.322, 4.322, 4.322, 4.322, -0.993, -0.992, -0.993, -0.992, 0.012, 0.012, 0.01, 0.012, 0.012, 0.01, 0.012, 0.012, 0.012, 0.012, 0.01, 0.012, 0.012, 0.012, 0.01, 0.012, 0.001, -0.001, 0.026, 0.03, -0.008, 0.042, 0.026, 0.026, 0.042, -0.004, -0.001, ...
[]
14.453
1.380117
pbe
true
819dbd0c9de723609de98941d1f7ba56_14_Mn8Hg16C48S48N48