LeMaterial/LeMat-Bulk · Datasets at Hugging Face

[ "Bi", "Nb", "Y" ]

4

A2BC

Bi2NbY

Y1 Nb1 Bi2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.6771778, 3.6771778 ], [ 3.6771778, 0, 3.6771778 ], [ 3.6771778, 3.6771778, 0 ] ]

agm002750561

[ [ 0, 0, 0 ], [ 3.6771778, 3.6771778, 3.6771778 ], [ 1.8385889, 1.8385889, 1.8385889 ], [ 5.5157667, 5.5157667, 5.5157667 ] ]

[{"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": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Nb", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.1525342, 0, 0 ], [ 0, 2.1525342, 0 ], [ 0, 0, 2.1525342 ] ]

-24.705188

[ 0, 0.004, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.005903

4.925671

pbe

true

9fb1c505825404abf4fa34c6eaff8e7d_225_Y1Nb1Bi2

[ "Cl", "I", "Li" ]

8

A2BC

ClILi2

Li4 I2 Cl2

3

[ 1, 1, 1 ]

3

[ [ 6.36478314, 0, 0 ], [ -3.9e-7, 6.36158092, 0 ], [ 0, 0, 17.53513973 ] ]

agm2000089280

[ [ 1.5905750130979643, 4.391019522695076, 8.919963029905704 ], [ 4.774207524866778, 4.3910193954634575, 8.919963029905704 ], [ 4.772966778097972, 1.2102289354634577, 8.919963205257101 ], [ 1.591816213514613, 1.2102288718476484, 8.919963205257101 ], [ -3.031452654e-7, 5.98303581074511, 7.347606689673101 ], [ 3.182391398206907, 2.8022452871293013, 7.347606865024499 ], [ 6.3647829682912445, 2.800869595255351, 9.8827463598127 ], [ 3.1823912032912447, 5.981660055255351, 9.882746535164097 ] ]

[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]

[ "Li", "Li", "Li", "Li", "I", "I", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -0.12766425, 0, 0 ], [ 0, -0.06441256, 0.02061836 ], [ 0, 0.02061835, -0.12761027 ] ]

-26.070198

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0.00024311, 0.00058091, 0.00040258 ], [ -0.00024311, 0.00058091, 0.00040258 ], [ 0.00024311, 0.00058091, 0.00040258 ], [ -0.00024311, 0.00058091, 0.00040258 ], [ 0, -0.00230345, -0.00240744 ], [ 0, -0.00230345, -0.00240744 ], [ 0, 0.00114162, 0.00160228 ], [ 0, 0.00114162, 0.00160228 ] ]

-0.000006

0

pbe

true

dfb6b7bfe1eb27f36f8da161bb5718f0_99_Li4I2Cl2

[ "Nb", "Pu", "Zr" ]

3

ABC

NbPuZr

Nb1 Pu1 Zr1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.220231668, 3.220231668 ], [ 3.220231668, 0, 3.220231668 ], [ 3.220231668, 3.220231668, 0 ] ]

oqmd-6932262

[ [ 3.22023, 3.22023, 3.22023 ], [ 1.6101200000000002, 1.6101200000000002, 1.6101200000000002 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]

[ "Nb", "Pu", "Zr" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 91.24598821, 0, 0 ], [ 0, 91.24598821, 0 ], [ 0, 0, 91.24598821 ] ]

-29.5085

[ 0.205, 5.269, 0.422 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

6.04817

null

pbe

true

ab30ef7dbabc724917b7f94090a33c89_216_Pu1Zr1Nb1

[ "Cr", "Cu", "Li", "Mn", "O" ]

28

A16B4C3D3E2

Cr2Cu3Li4Mn3O16

Cr2 Cu3 Li4 Mn3 O16

5

[ 1, 1, 1 ]

3

[ [ 5.87274991, 0.04126507, 0.06959818 ], [ -2.90079989, 5.02802523, -0.00113823 ], [ 0.11173137, 0.06272601, 9.4365364 ] ]

mp-867667

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[{"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": "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", "Mn", "Cr", "Cr", "Cu", "Cu", "Cu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-10-23 22:39:14

[ 0.07142857142857142, 0.10714285714285714, 0.14285714285714285, 0.10714285714285714, 0.5714285714285714 ]

[]

-174.711309

[ 0, 0.004, 0.001, -0.003, 3.233, 3.23, 3.23, 2.905, 2.78, -0.556, -0.546, -0.796, -0.193, -0.261, -0.194, -0.153, -0.185, -0.193, -0.265, -0.265, -0.236, -0.099, -0.246, -0.245, -0.214, -0.229, -0.136, -0.227 ]

[]

10.141

2.410244

pbe

true

99d8e44967dbc9d57c699335bc5021db_8_Li4Mn3Cr2Cu3O16

[ "Cr", "Cu", "Li", "Nb", "O" ]

28

A16B4C3D3E2

Cr3Cu3Li4Nb2O16

Cr3 Cu3 Li4 Nb2 O16

5

[ 1, 1, 1 ]

3

[ [ 5.99353691, 0.08558298, 0.1779857 ], [ -2.92253849, 5.06347939, 0.00089719 ], [ 0.28750418, 0.16779536, 9.76685355 ] ]

mp-775290

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[{"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": "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"]}]

[ "Li", "Li", "Li", "Li", "Nb", "Nb", "Cr", "Cr", "Cr", "Cu", "Cu", "Cu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-20 20:01:54

[ 0.10714285714285714, 0.10714285714285714, 0.14285714285714285, 0.07142857142857142, 0.5714285714285714 ]

[]

-190.656549

[ -0.002, 0.001, -0.001, 0.001, 0.027, 0.048, 2.865, 2.913, 2.915, 0.026, 0.025, -0.73, -0.071, -0.049, -0.025, 0.01, -0.139, -0.074, -0.017, -0.017, -0.014, -0.029, -0.233, -0.229, -0.173, -0.02, -0.032, -0.019 ]

[]

6.957

2.49146

pbe

true

c2b803f3b8973363231db998743e05db_1_Li4Nb2Cr3Cu3O16

[ "Bi", "Nd", "Zr" ]

4

A2BC

Bi2NdZr

Nd1 Zr1 Bi2

3

[ 1, 1, 1 ]

3

[ [ 4.40021945, 0, 0 ], [ 2.20010972, 3.81070183, 0 ], [ 2.20010972, 1.27023394, 7.27721924 ] ]

agm003636440

[ [ 4.400219445, 2.540467885, 3.63860962 ], [ 0, 0, 0 ], [ 2.200111900680751, 1.2702352001037287, 1.6618446336442316 ], [ 6.600326989319249, 3.8107005698962713, 5.615374606355768 ] ]

[{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}]

[ "Nd", "Zr", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.9910704, 0, 0 ], [ 0, 0.9910704, 0 ], [ 0, 0, 0.68387735 ] ]

-23.331928

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00631172 ], [ 0, 0, 0.00631172 ] ]

0.000072

2.350292

pbe

true

5aa4a4bf94ee677e42ec0e0894bbcab2_166_Nd1Zr1Bi2

[ "Cr", "Cu", "O", "P", "Zr" ]

38

A12B3C2DE

CrCu2O12P3Zr

Cr2 Cu4 O24 P6 Zr2

5

[ 1, 1, 1 ]

3

[ [ 7.62088916, -0.04885367, 4.53629195 ], [ 2.56346474, 7.29762977, 4.48930999 ], [ -0.04986368, -0.09317396, 8.93972781 ] ]

mp-726391

[ [ 1.4525378958063977, 1.0387407432869908, 2.529599898006831 ], [ 8.74753156344662, 6.116453741483226, 15.438916995946776 ], [ 3.646464322720148, 2.5501847023439903, 6.428570885158033 ], [ 6.480084481224502, 4.613043859494999, 11.541029822210234 ], [ 1.0400853344974335, 1.9022394230514466, 8.463360279159321 ], [ 5.017430055906292, 4.669463843584294, 8.397575767249556 ], [ 5.0924008625915835, 2.487507353214185, 9.588073876308698 ], [ 9.503829972983205, 6.396420662002064, 9.54733434873062 ], [ 2.1728505569771697, 5.346110680748892, 7.61608214248584 ], [ 3.6107009054550936, 0.16422340130208332, 8.885736830388836 ], [ 6.808886240447981, 3.388219010540983, 5.736650699929819 ], [ 3.3210717428953878, 3.7983581168923632, 12.233799643564096 ], [ 6.540410773259595, 6.976137871885206, 9.102484316611573 ], [ 7.916899410889406, 1.7906012808910141, 10.35608457982086 ], [ 1.6097869900642743, 2.1870790083357456, 6.591970584475442 ], [ 3.5498918905554975, 3.6125354152321676, 4.775532470971266 ], [ 2.729022210781779, 6.582269851488241, 6.78911520112682 ], [ 4.082271883226643, 0.8221275811035127, 5.586707854146524 ], [ 2.064400900805553, 5.738408107556168, 9.100990017780575 ], [ 3.2648311833898687, 4.225252733344974, 7.5390560478636734 ], [ 2.244316045413511, 0.36366496449629343, 9.621421824416949 ], [ 3.9673678483929526, 1.5630826419482793, 8.241707483798736 ], [ 2.516009071405935, 2.6523616337111644, 11.544773707614038 ], [ 5.545315154929877, 3.1665348376119815, 6.586341302677459 ], [ 2.5089037980159246, 5.137493550553592, 12.120839192664256 ], [ 5.47134737202246, 7.204855229895386, 7.99503899257249 ], [ 4.717716111201827, -0.0684656093698023, 9.94705488327597 ], [ 7.697366252849174, 2.0673089628954813, 5.786955695802432 ], [ 4.604158819128963, 3.9399285045896715, 11.384875856466124 ], [ 7.6067232059985415, 4.524860025523947, 6.422773567932077 ], [ 6.161330134736081, 5.590236099299728, 9.734116109358848 ], [ 7.938040001726678, 6.7928451873648115, 8.397182151222577 ], [ 6.8669421675968225, 2.9423160575603333, 10.406079622346903 ], [ 0.5745479837260352, 1.527087459489229, 4.337511261664536 ], [ 6.0231680634533316, 6.331194473220939, 12.38996900792207 ], [ 7.333635262211105, 0.5537642235184699, 11.072571748816271 ], [ 6.538735567604353, 3.5564701290516885, 13.197858448810598 ], [ 8.466377910268635, 4.923548732904009, 11.514334776365 ] ]

[{"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": "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": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}]

[ "Zr", "Zr", "Cr", "Cr", "Cu", "Cu", "Cu", "Cu", "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" ]

2014-01-19 07:43:56

[ 0.05263157894736842, 0.10526315789473684, 0.631578947368421, 0.15789473684210525, 0.05263157894736842 ]

[]

-278.672949

[ 0.002, 0.002, 2.949, 2.932, -0.005, -0.007, -0.008, -0.002, 0.001, 0.001, 0.002, 0.002, 0.001, 0.001, -0.008, 0.003, 0.001, 0.003, -0.001, -0.015, 0, -0.014, -0.002, -0.015, 0, -0.001, -0.002, 0, -0.014, -0.002, -0.013, 0.001, -0.014, -0.002, 0.002, 0, 0.001, -0.001 ]

[]

5.778

3.195417

pbe

true

f4c2eb53ee1de86e877ca6fbfbc36ed4_1_Zr2Cr2Cu4P6O24

[ "Cr", "Cu", "O", "S", "Sr" ]

16

A3B2CDE

CrCuO3SSr2

Cr2 Cu2 O6 S2 Sr4

5

[ 1, 1, 1 ]

3

[ [ 3.94474714, 0, 0 ], [ 0, 3.94474714, 0 ], [ 0, 0, 15.62161931 ] ]

mp-505311

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[{"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": "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": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "Sr", "Sr", "Sr", "Sr", "Cr", "Cr", "Cu", "Cu", "S", "S", "O", "O", "O", "O", "O", "O" ]

2017-11-28 17:43:56

[ 0.125, 0.125, 0.375, 0.125, 0.25 ]

[]

-99.648361

[ 0.004, 0.004, 0.001, 0.001, 2.93, 2.93, -0.002, -0.002, -0.003, -0.003, 0.014, -0.024, 0.014, -0.024, -0.014, -0.014 ]

[]

5.812

4.690785

pbe

true

ca873718b09be99bc53258eaed366d26_129_Sr4Cr2Cu2S2O6

[ "Cl", "I", "Rh" ]

5

A3BC

Cl3IRh

Rh1 I1 Cl3

3

[ 1, 1, 1 ]

3

[ [ 5.50812625, 0, 0 ], [ 0, 5.50812625, 0 ], [ 0, 0, 5.50812625 ] ]

agm002446097

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]

[ "I", "Rh", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 0.11916165, 0, 0 ], [ 0, 0.11916165, 0 ], [ 0, 0, 0.11916165 ] ]

-10.371377

[ -0.011, 1.548, 0.009, 0.004, 0.002 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

1.712319

44.72385

pbe

true

f6df4992bb6c1ef6eace1355f98f27c3_221_Rh1I1Cl3

[ "Cr", "Eu", "Hf", "O", "Sn" ]

40

A6BCDE

CrEuHfO6Sn

Cr4 Eu4 Hf4 O24 Sn4

5

[ 1, 1, 1 ]

3

[ [ 8.78182393, 0, 0 ], [ 0, 8.65586945, 0 ], [ 0, 0, 8.67541243 ] ]

mp-1522994

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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"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"]}]

[ "Eu", "Eu", "Eu", "Eu", "Hf", "Hf", "Hf", "Hf", "Cr", "Cr", "Cr", "Cr", "Sn", "Sn", "Sn", "Sn", "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 08:28:44

[ 0.1, 0.1, 0.1, 0.6, 0.1 ]

[ [ -43.30274889, 0, 0 ], [ 0, -18.62511036, 0 ], [ 0, 0, -30.7619685 ] ]

-323.790243

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14.436

2.267971

pbe

true

eb2769fe4ee1b263c8471f508d80dc57_16_Eu4Hf4Cr4Sn4O24

[ "Cr", "F", "H", "O", "Si" ]

52

A12B6C6DE

CrF6H12O6Si

Cr2 F12 H24 O12 Si2

5

[ 1, 1, 1 ]

3

[ [ 6.47028235, 0.08337417, -0.08565771 ], [ -0.588859, 6.39023641, -0.1171738 ], [ -1.53653976, -1.7455372, 12.80971168 ] ]

mp-1255651

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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"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": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}]

[ "Cr", "Cr", "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", "H", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F", "F" ]

2020-05-23 16:18:18

[ 0.038461538461538464, 0.23076923076923078, 0.46153846153846156, 0.23076923076923078, 0.038461538461538464 ]

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-274.292547

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0.003

0.510559

pbe

true

3a7f26ad80b8b6127dc5703a6b10f46d_1_Cr2Si2H24O12F12

[ "Bi", "Ni", "Zn" ]

4

A2BC

Bi2NiZn

Bi2 Ni1 Zn1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.584755244, 3.584755244 ], [ 3.584755244, 0, 3.584755244 ], [ 3.584755244, 3.584755244, 0 ] ]

oqmd-7187142

[ [ 0, 0, 0 ], [ 5.37713, 5.37713, 5.37713 ], [ 3.58476, 3.58476, 3.58476 ], [ 1.79238, 1.79238, 1.79238 ] ]

[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Bi", "Bi", "Ni", "Zn" ]

2024-11-01 00:00:00

[ 0.5, 0.25, 0.25 ]

[ [ -8.58873749, 0, 0 ], [ 0, -8.58873749, 0 ], [ 0, 0, -8.58873749 ] ]

-13.1085

[ 0, -0.001, 0.004, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.009078

null

pbe

true

f6e4882253607c118105fa7d0b996f72_216_Zn1Ni1Bi2

[ "Cr", "F", "Li", "O", "P" ]

32

A4BCDE

CrFLiO4P

Cr4 F4 Li4 O16 P4

5

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mp-758681

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[ "Li", "Li", "Li", "Li", "Cr", "Cr", "Cr", "Cr", "P", "P", "P", "P", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "F", "F", "F", "F" ]

2015-01-07 11:37:23

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[]

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[]

11.634

2.600392

pbe

true

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[ "Cr", "F", "Li", "O", "P" ]

72

A4B2CDE

CrFLi2O4P

Cr8 F8 Li16 O32 P8

5

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mp-759293

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2014-02-13 21:04:33

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[]

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[]

30.576

3.081341

pbe

true

afc16cdf9763cc3f294123a33d57babf_14_Li16Cr8P8O32F8

[ "Cr", "F", "Na", "O", "P" ]

54

A8B5C2D2E

CrF2Na5O8P2

Cr3 F6 Na15 O24 P6

5

[ 1, 1, 1 ]

3

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mp-559615

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2014-02-22 10:32:04

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[]

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[]

8.732

1.215424

pbe

true

9126ad4e8858c990ea68d4265ce98118_143_Na15Cr3P6O24F6

[ "Cl", "I", "Sb" ]

5

A3BC

ClI3Sb

Sb1 I3 Cl1

3

[ 1, 1, 1 ]

3

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agm002450014

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]

[ "I", "I", "I", "Sb", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

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0.833442

7.596507

pbe

true

7199f99da9e83862a5dd7b870a9188ab_221_Sb1I3Cl1

[ "Cr", "Fe", "Li", "Mn", "O" ]

28

A16B4C3D3E2

Cr2Fe3Li4Mn3O16

Cr2 Fe3 Li4 Mn3 O16

5

[ 1, 1, 1 ]

3

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mp-849471

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[ "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "Cr", "Cr", "Fe", "Fe", "Fe", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-07-04 03:46:43

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[]

-187.496726

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[]

28.562

2.266304

pbe

true

4e18d39b6db92afc56b24619f1a22bf5_1_Li4Mn3Cr2Fe3O16

[ "Cl", "I", "Sr" ]

4

A2BC

ClISr2

Sr2 I1 Cl1

3

[ 1, 1, 1 ]

3

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agm005124290

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[ "Sr", "Sr", "I", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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0

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pbe

true

9251ab57339057e1c7280da41d2d3079_160_Sr2I1Cl1

[ "Cr", "Fe", "Li", "Nb", "O" ]

28

A16B4C3D3E2

Cr3Fe3Li4Nb2O16

Cr3 Fe3 Li4 Nb2 O16

5

[ 1, 1, 1 ]

3

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mp-755224

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[{"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": "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"]}]

[ "Li", "Li", "Li", "Li", "Nb", "Nb", "Cr", "Cr", "Cr", "Fe", "Fe", "Fe", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-18 14:39:48

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[]

-203.772667

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[]

23.468

2.412945

pbe

true

4227005638446bf024045b75b58773ff_8_Li4Nb2Cr3Fe3O16

[ "Cr", "Fe", "Li", "O", "Sb" ]

56

A8B2C2DE

Cr2FeLi2O8Sb

Cr8 Fe4 Li8 O32 Sb4

5

[ 1, 1, 1 ]

3

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mp-861530

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[{"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": "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", "Li", "Li", "Li", "Li", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Fe", "Fe", "Fe", "Fe", "Sb", "Sb", "Sb", "Sb", "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", "O", "O", "O", "O" ]

2014-10-24 19:06:11

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[]

-374.331291

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[]

39.099

3.322772

pbe

true

819f614c827450407b112b5d2e04df2c_1_Li8Cr8Fe4Sb4O32

[ "Cr", "Fe", "Li", "O", "Te" ]

28

A16B4C3D3E2

Cr3Fe3Li4O16Te2

Cr3 Fe3 Li4 O16 Te2

5

[ 1, 1, 1 ]

3

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mp-773518

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[{"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": "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": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Li", "Li", "Li", "Li", "Cr", "Cr", "Cr", "Fe", "Fe", "Fe", "Te", "Te", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-19 16:14:27

[ 0.10714285714285714, 0.10714285714285714, 0.14285714285714285, 0.5714285714285714, 0.07142857142857142 ]

[]

-178.836205

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[]

21.655

4.057422

pbe

true

f0e038f33735b37360bd9c9aa5dc2535_8_Li4Cr3Fe3Te2O16

[ "Cr", "Fe", "Li", "O", "Ti" ]

62

A18B4C4D4E

CrFe4Li4O18Ti4

Cr2 Fe8 Li8 O36 Ti8

5

[ 1, 1, 1 ]

3

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mp-769457

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2014-02-16 17:44:08

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2014-03-06 16:44:03

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mp-776666

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2014-02-22 06:18:02

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[{"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": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"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"]}]

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2019-01-12 01:39:44

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[ "Cr", "H", "N", "O", "P" ]

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Cr2 H26 N4 O20 P4

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mp-698227

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2014-01-19 10:53:34

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Ni1 As1 Os2

3

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2023-11-16 06:57:59

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mp-720256

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2014-01-20 03:32:47

[ 0.034482758620689655, 0.4827586206896552, 0.10344827586206896, 0.3103448275862069, 0.06896551724137931 ]

[]

-675.978901

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[]

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true

f48a0330bf7700c16f4fd05142513bbd_14_Cr4P8H56N12O36

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84

A8B7C4DE

CrH8Na4O7S

Cr4 H32 Na16 O28 S4

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mp-775341

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2014-02-20 20:20:31

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[]

-422.281973

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[]

11.628

0.909816

pbe

true

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[ "Cr", "K", "N", "O", "U" ]

39

A24B8C4D2E

Cr4K8N2O24U

Cr4 K8 N2 O24 U1

5

[ 1, 1, 1 ]

3

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mp-561037

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[ "K", "K", "K", "K", "K", "K", "K", "K", "U", "Cr", "Cr", "Cr", "Cr", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-03-04 10:15:07

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[]

-248.934367

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[]

0

-0.713184

pbe

true

d50d4253f87be6bd7f4231e405667e13_2_K8U1Cr4N2O24

[ "Cr", "La", "Mn", "O", "Sr" ]

20

A12B3C3DE

CrLa3Mn3O12Sr

Cr1 La3 Mn3 O12 Sr1

5

[ 1, 1, 1 ]

3

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mp-1218266

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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"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": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "Sr", "La", "La", "La", "Mn", "Mn", "Mn", "Cr", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-12 19:27:47

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-156.145839

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13.662

6.122024

pbe

true

894d6d2d51e9c8281eb0ae0792269f79_146_Sr1La3Mn3Cr1O12

[ "Cl", "I", "W" ]

4

A2BC

Cl2IW

W1 I1 Cl2

3

[ 1, 1, 1 ]

3

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agm002759976

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[{"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}]

[ "I", "W", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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-17.702504

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0

4.19874

pbe

true

6b0e3f0f57ca6692a88f2864c60788bf_166_W1I1Cl2

[ "Bi", "S", "Sb" ]

14

A4B2C

BiS4Sb2

Bi2 Sb4 S8

3

[ 1, 1, 1 ]

3

[ [ 4.06394455, 0, 0 ], [ -2.03197227, 6.44696179, 0 ], [ 0, 0, 13.37971549 ] ]

agm003449965

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[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"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"]}]

[ "Bi", "Bi", "Sb", "Sb", "Sb", "Sb", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.5714285714285714, 0.2857142857142857 ]

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-59.648115

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-0.000005

5.871511

pbe

true

1a539c6b8fe4c76eb99d6297a7271c80_63_Bi2Sb4S8

[ "Cr", "Li", "Mn", "Nb", "O" ]

28

A16B4C3D3E2

Cr3Li4Mn3Nb2O16

Cr3 Li4 Mn3 Nb2 O16

5

[ 1, 1, 1 ]

3

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mp-756399

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[{"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": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"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"]}]

[ "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "Nb", "Nb", "Cr", "Cr", "Cr", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-18 08:06:35

[ 0.10714285714285714, 0.14285714285714285, 0.10714285714285714, 0.07142857142857142, 0.5714285714285714 ]

[]

-210.18019

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[]

20.515

2.776872

pbe

true

a67c17098718fb32e2be855d5bc0d7a8_8_Li4Mn3Nb2Cr3O16

[ "Cr", "Li", "Mn", "Ni", "O" ]

34

A16B10C3D3E2

Cr3Li10Mn3Ni2O16

Cr3 Li10 Mn3 Ni2 O16

5

[ 1, 1, 1 ]

3

[ [ 3.04746827, -5.1529927, 0.0450746 ], [ 2.98625458, 5.10839069, 0.04210104 ], [ 0.15945155, 0.00531808, 9.80492798 ] ]

mp-774408

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[{"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": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"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"]}]

[ "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "Cr", "Cr", "Cr", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-20 00:34:39

[ 0.08823529411764706, 0.29411764705882354, 0.08823529411764706, 0.058823529411764705, 0.47058823529411764 ]

[]

-208.250708

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[]

24.424

3.616566

pbe

true

b76965b3406e3af2e78a8fe2aa269caf_1_Li10Mn3Cr3Ni2O16

[ "Cr", "Li", "Mn", "O", "Sb" ]

28

A16B4C3D3E2

Cr3Li4Mn3O16Sb2

Cr3 Li4 Mn3 O16 Sb2

5

[ 1, 1, 1 ]

3

[ [ 5.99235517, 0.02952901, -0.07287244 ], [ -2.97060818, 5.145416, -0.00002425 ], [ -0.11845134, -0.06843605, 9.75614538 ] ]

mp-774806

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[{"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": "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": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}]

[ "Li", "Li", "Li", "Li", "Mn", "Mn", "Mn", "Cr", "Cr", "Cr", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-22 06:06:18

[ 0.10714285714285714, 0.14285714285714285, 0.10714285714285714, 0.5714285714285714, 0.07142857142857142 ]

[]

-191.103024

[ 0.004, 0.002, 0.002, 0.004, 3.898, 3.915, 3.915, 2.992, 2.992, 2.973, 0.036, 0.031, 0.03, -0.048, -0.068, -0.05, -0.075, 0.03, -0.002, -0.002, -0.01, -0.006, 0.018, 0.018, -0.103, 0.007, -0.027, 0.007 ]

[]

20.483

4.068741

pbe

true

54d981551952056684b74dde16a43ea0_8_Li4Mn3Cr3Sb2O16

[ "Cr", "Li", "Mn", "O", "Te" ]

28

A16B4C3D3E2

Cr3Li4Mn3O16Te2

Cr3 Li4 Mn3 O16 Te2

5

[ 1, 1, 1 ]

3

[ [ 6.049098, 0.02432797, -0.08279031 ], [ -3.00348776, 5.20221756, 0.00003548 ], [ -0.13141479, -0.07580252, 9.81560047 ] ]

mp-774791

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[{"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": "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", "Mn", "Cr", "Cr", "Cr", "Te", "Te", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-21 01:17:21

[ 0.10714285714285714, 0.14285714285714285, 0.10714285714285714, 0.5714285714285714, 0.07142857142857142 ]

[]

-185.373675

[ 0.005, 0.004, 0.002, 0.003, 3.97, 4.201, 4.201, 2.977, 2.977, 2.966, 0.058, -0.081, 0.024, -0.038, -0.07, -0.068, -0.066, 0.024, 0.01, 0.01, -0.1, -0.002, -0.054, -0.054, -0.077, -0.082, -0.046, -0.082 ]

[]

20.612

4.344121

pbe

true

2aee4054ba88982366e95b85d2af077d_8_Li4Mn3Cr3Te2O16

[ "Bi", "S", "Se" ]

5

A3BC

BiSSe3

Bi1 Se3 S1

3

[ 1, 1, 1 ]

3

[ [ 4.91388729, 0, 0 ], [ 0, 4.91388729, 0 ], [ 0, 0, 4.91388729 ] ]

agm002586601

[ [ 0, 0, 0 ], [ 2.456943645, 2.456943645, 2.456943645 ], [ 0, 2.456943645, 0 ], [ 0, 0, 2.456943645 ], [ 2.456943645, 0, 0 ] ]

[{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"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"]}]

[ "S", "Bi", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ -0.04967759, 0, 0 ], [ 0, -0.04967759, 0 ], [ 0, 0, -0.04967759 ] ]

-16.861969

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

3.491789

pbe

true

a7c03575537ff68d4b48a653fe4fce14_221_Bi1Se3S1

[ "Cl", "I", "W" ]

4

A2BC

ClI2W

W1 I2 Cl1

3

[ 1, 1, 1 ]

3

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[ "I", "I", "W", "Cl" ]

2023-11-16 06:57:59

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A16B4C3D3E2

Cr3Li4Nb3O16Ti2

Cr3 Li4 Nb3 O16 Ti2

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[ "Li", "Li", "Li", "Li", "Ti", "Ti", "Nb", "Nb", "Nb", "Cr", "Cr", "Cr", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-05-08 11:54:33

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[]

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A4B2C

BiS4Sn2

Sn4 Bi2 S8

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[ "Sn", "Sn", "Sn", "Sn", "Bi", "Bi", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

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true

e19f72e955bf30958311aa8702c84f60_63_Sn4Bi2S8

[ "Cr", "Li", "Ni", "O", "Sn" ]

28

A16B4C3D3E2

Cr3Li4Ni3O16Sn2

Cr3 Li4 Ni3 O16 Sn2

5

[ 1, 1, 1 ]

3

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mp-774864

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[{"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": "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", "Cr", "Cr", "Cr", "Ni", "Ni", "Ni", "Sn", "Sn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-21 03:22:17

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[]

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[]

10.088

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pbe

true

8e793d112523f944a52ec02ed6125d4e_8_Li4Cr3Ni3Sn2O16

[ "Cr", "Li", "Ni", "O", "Ti" ]

28

A16B4C3D3E2

Cr3Li4Ni2O16Ti3

Cr3 Li4 Ni2 O16 Ti3

5

[ 1, 1, 1 ]

3

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mp-782652

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[{"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": "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": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Cr", "Cr", "Cr", "Ni", "Ni", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-27 12:51:22

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[]

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[]

9.962

2.350512

pbe

true

535a04a619ab8a3199758b93147bdec5_8_Li4Ti3Cr3Ni2O16

[ "Cr", "Li", "Ni", "O", "W" ]

28

A16B4C3D3E2

Cr3Li4Ni3O16W2

Cr3 Li4 Ni3 O16 W2

5

[ 1, 1, 1 ]

3

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mp-757815

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[{"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": "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": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}]

[ "Li", "Li", "Li", "Li", "Cr", "Cr", "Cr", "Ni", "Ni", "Ni", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-05-06 02:21:04

[ 0.10714285714285714, 0.14285714285714285, 0.10714285714285714, 0.5714285714285714, 0.07142857142857142 ]

[]

-181.49759

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[]

11.773

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pbe

true

64597e63f2e767a29bff18b7fda3d1e5_8_Li4Cr3Ni3W2O16

[ "Cr", "Li", "O", "P", "V" ]

44

A14B4C2DE

CrLi2O14P4V

Li4 V2 Cr2 P8 O28

5

[ 1, 1, 1 ]

3

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agm005233475

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2023-11-16 06:57:59

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A24B6C3DE

Cr3LiO24S6Zn

Cr3 Li1 O24 S6 Zn1

5

[ 1, 1, 1 ]

3

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mp-769549

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2014-02-16 21:04:05

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[]

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[]

8.71

0.532709

pbe

true

bc8a84df777f992f583132a78d601326_1_Li1Zn1Cr3S6O24

[ "Cr", "Li", "O", "Sb", "Sn" ]

28

A16B4C3D3E2

Cr3Li4O16Sb2Sn3

Cr3 Li4 O16 Sb2 Sn3

5

[ 1, 1, 1 ]

3

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mp-755860

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[{"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"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}]

[ "Li", "Li", "Li", "Li", "Cr", "Cr", "Cr", "Sn", "Sn", "Sn", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-20 03:21:20

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[]

-178.617732

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[]

7.987

5.167964

pbe

true

f3bce7fac4e2f79cbd2bea34a594f8b5_8_Li4Cr3Sn3Sb2O16

[ "Cr", "Li", "O", "Sb", "Ti" ]

28

A16B4C3D3E2

Cr3Li4O16Sb2Ti3

Cr3 Li4 O16 Sb2 Ti3

5

[ 1, 1, 1 ]

3

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mp-758653

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[{"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"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Cr", "Cr", "Cr", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2015-01-07 01:35:10

[ 0.10714285714285714, 0.14285714285714285, 0.5714285714285714, 0.07142857142857142, 0.10714285714285714 ]

[]

-203.423292

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[]

8.262

4.7269

pbe

true

eb6a77733eda4e4a027d81b9605d760f_8_Li4Ti3Cr3Sb2O16

[ "Cr", "Mg", "Ni", "O", "P" ]

56

A9B2CDE

CrMgNiO9P2

Cr4 Mg4 Ni4 O36 P8

5

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3

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mp-1333330

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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"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"]}]

[ "Mg", "Mg", "Mg", "Mg", "Cr", "Cr", "Cr", "Cr", "Ni", "Ni", "Ni", "Ni", "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", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2017-12-03 20:47:11

[ 0.07142857142857142, 0.07142857142857142, 0.07142857142857142, 0.6428571428571429, 0.14285714285714285 ]

[]

-382.208117

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[]

15.837

2.849668

pbe

true

162dc8539ba98adce5ac13a41be308c4_1_Mg4Cr4Ni4P8O36

[ "Cr", "Mg", "O", "P", "Ti" ]

36

A12B3CDE

CrMgO12P3Ti

Cr2 Mg2 O24 P6 Ti2

5

[ 1, 1, 1 ]

3

[ [ 8.53138943, -0.17637856, -0.12300284 ], [ 4.35546937, 7.3379563, -0.12300284 ], [ 4.35546932, 2.42045273, 6.92835739 ] ]

mp-1044303

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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"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": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Mg", "Mg", "Ti", "Ti", "Cr", "Cr", "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" ]

2017-12-05 07:13:14

[ 0.05555555555555555, 0.05555555555555555, 0.6666666666666666, 0.16666666666666666, 0.05555555555555555 ]

[]

-273.120401

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[]

5.789

1.714271

pbe

true

00313352800938db76e4290ee8f93005_161_Mg2Ti2Cr2P6O24

[ "Al", "W" ]

24

A7B5

Al5W7

Al5 W7

2

[ 1, 1, 1 ]

3

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oqmd-8188784

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[{"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", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W" ]

2024-11-01 00:00:00

[ 0.4166666666666667, 0.5833333333333334 ]

[ [ 5.62033827, 0, 0 ], [ 0, 5.62033827, 0 ], [ 0, 0, 2.9037578 ] ]

-213.893

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0.010454

null

pbe

true

f38a130a7f8d4b0c34fceaf7310f7a60_194_Al10W14

[ "Bi", "S", "Sr" ]

4

A2BC

BiS2Sr

Sr1 Bi1 S2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.65823053, 3.65823053 ], [ 3.65823053, 0, 3.65823053 ], [ 3.65823053, 3.65823053, 0 ] ]

agm002729340

[ [ 0, 0, 0 ], [ 1.829115265, 1.829115265, 1.829115265 ], [ 5.4873457949999995, 5.4873457949999995, 5.4873457949999995 ], [ 3.65823053, 3.65823053, 3.65823053 ] ]

[{"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": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "Sr", "S", "S", "Bi" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -0.031041, 0, 0 ], [ 0, -0.031041, 0 ], [ 0, 0, -0.031041 ] ]

-17.053709

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

3.21241

pbe

true

4c6aa303786997ef2b7d5f21c56f9113_225_Sr1Bi1S2

[ "Al", "W" ]

24

A7B5

Al7W5

Al7 W5

2

[ 1, 1, 1 ]

3

[ [ 5.18779271, 0, 0 ], [ -2.593896355, 4.492760277, 0 ], [ 0, 0, 16.589209984 ] ]

oqmd-6011259

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[{"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", "Al", "Al", "Al", "Al", "W", "W", "W", "W", "W", "W", "W", "W", "W", "W" ]

2024-11-01 00:00:00

[ 0.5833333333333334, 0.4166666666666667 ]

[ [ 4.01054304, 0, 0 ], [ 0, 4.01054304, 0 ], [ 0, 0, 2.36316024 ] ]

-175.733

[ 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.03645 ], [ 0, 0, 0.028722 ], [ 0, 0, -0.028722 ], [ 0, 0, -0.03645 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.03645 ], [ 0, 0, 0.028722 ], [ 0, 0, -0.028722 ], [ 0, 0, -0.03645 ], [ 0, 0, -0.015056 ], [ 0, -0.02043, 0 ], [ -0.017693, 0.010215, 0 ], [ 0.017693, 0.010215, 0 ], [ 0, 0, 0.015056 ], [ 0, 0, -0.015056 ], [ -0.017693, -0.010215, 0 ], [ 0.017693, -0.010215, 0 ], [ 0, 0.02043, 0 ], [ 0, 0, 0.015056 ] ]

0.001569

null

pbe

true

32eb5f1aa241b11472c5282362472979_194_Al14W10

[ "Cr", "Mn", "O", "P", "Ti" ]

36

A12B3CDE

CrMnO12P3Ti

Cr2 Mn2 O24 P6 Ti2

5

[ 1, 1, 1 ]

3

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mp-725932

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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"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"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Ti", "Ti", "Mn", "Mn", "Cr", "Cr", "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" ]

2014-01-19 07:43:00

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[]

-280.797846

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[]

15.347

1.615529

pbe

true

4014a089ceeb829a5f895360e50b1683_161_Ti2Mn2Cr2P6O24

[ "Cr", "Na", "O", "P", "Ti" ]

36

A24B6C3D2E

CrNa2O24P6Ti3

Cr1 Na2 O24 P6 Ti3

5

[ 1, 1, 1 ]

3

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mp-772553

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[{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"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"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Na", "Na", "Ti", "Ti", "Ti", "Cr", "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" ]

2014-02-19 16:47:50

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[]

-271.947765

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[]

2.021

0.859946

pbe

true

2eae6e24c6c3fb98da7f05b22d11e913_146_Na2Ti3Cr1P6O24

[ "Al", "Zn" ]

4

AB

AlZn

Al2 Zn2

2

[ 1, 1, 1 ]

3

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agm003162411

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[ "Zn", "Zn", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 2.8817616, 0, 0 ], [ 0, 2.469624, -0.06642917 ], [ 0, -0.06642922, 2.3568387 ] ]

-9.817066

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0

0.649113

pbe

true

66adc505a02e4d21a909f516c1671de8_11_Al2Zn2

[ "Br", "C", "I" ]

10

A3BC

Br3CI

C2 I2 Br6

3

[ 1, 1, 1 ]

3

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agm002044040

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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]

[ "I", "I", "C", "C", "Br", "Br", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 0.11198944, 0.01124049, 0.02925679 ], [ 0.01124072, 0.15707342, 0.02720959 ], [ 0.02925637, 0.02720995, 0.14256914 ] ]

-27.94878

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0.000016

-0.450406

pbe

true

05008ecf731aee24cfdd4c2b75591305_1_C2I2Br6

[ "Br", "C", "N" ]

8

A2BC

BrCN2

C2 Br2 N4

3

[ 1, 1, 1 ]

3

[ [ 4.68395083, 0, 0 ], [ 0, 4.68395083, 0 ], [ 2.34197541, 2.34197541, 3.51457312 ] ]

agm002807918

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[ "C", "C", "Br", "Br", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -0.89960873, 0, 0 ], [ 0, -0.89960873, 0 ], [ 0, 0, 2.2093635 ] ]

-40.615694

[ 0, 0, 0, 0, 0, 0, 0, 0 ]

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0.000007

6.758486

pbe

true

c5501262c0f4309ae8f6913bb5eddb83_122_C2Br2N4

[ "Cs", "Er", "F", "O", "Si" ]

144

A10B4C2DE

Cs2ErFO10Si4

Cs16 Er8 Si32 O80 F8

5

[ 1, 1, 1 ]

3

[ [ 8.93690259, 0, 0 ], [ 0, 12.14601604, 0 ], [ 0, 0, 22.6664871 ] ]

agm005286909

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2023-11-16 06:57:59

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[ "Al", "Se" ]

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agm2000111907

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[ "Al", "Al", "Al", "Al", "Al", "Al", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.6, 0.4 ]

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3.068219

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true

c7f66e758535c63f0222d129f2408c32_51_Al6Se4

[ "As", "Hf" ]

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As1 Rh4

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2023-11-16 06:57:59

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Co2PbTe

Co2 Te1 Pb1

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2023-11-16 06:57:59

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Tm1 Co1 Pb1

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2023-11-16 06:57:59

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Ba3Rh

Ba3 Rh1

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2023-11-16 06:57:59

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A3B2C

Nb2RbSe3

Rb2 Nb4 Se6

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2023-11-16 06:57:59

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[ "Cs", "Ga", "H", "O", "P" ]

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A10B3CDE

CsGaHO10P3

Cs2 Ga2 P6 H2 O20

5

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2023-11-16 06:57:59

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A8B2C2DE

CsH2InO8Se2

Cs2 In2 H4 Se4 O16

5

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2023-11-16 06:57:59

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A10B5C2DE

CsH5MnO10S2

Cs1 Mn1 H5 S2 O10

5

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3

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2023-11-16 06:57:59

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4

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CoPb2W

Co1 Pb2 W1

3

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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[ "Co", "Pd", "Te" ]

12

ABC

CoPdTe

Co4 Te4 Pd4

3

[ 1, 1, 1 ]

3

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[ "Te", "Te", "Te", "Te", "Co", "Co", "Co", "Co", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

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2023-11-16 06:57:59

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3.999991

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pbe

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adbff0be0702b04561a19f45ae33b5c7_1_Cs3Rb5Mo12P12O68

[ "Co", "Pt", "Ta" ]

3

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Ta1 Co1 Pt1

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agm004323409

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[ "Co", "Pt", "Ta" ]

2023-11-16 06:57:59

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a8235b87b7f651cdb982cf1ecf43cd22_107_Ta1Co1Pt1

[ "Cl", "K", "Pb" ]

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K1 Pb4 Cl8

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3

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2023-11-16 06:57:59

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2020-05-08 11:42:58

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2014-05-03 19:56:05

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[]

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0d794595764409b73724c2f2beb36835_15_Cu2H24N4O4F8

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A12B8C6D2E

CuF8H12O6Sb2

Cu2 F16 H24 O12 Sb4

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2014-03-06 18:58:19

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CuF6H8O4Zr

Cu2 F12 H16 O8 Zr2

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2014-03-07 09:56:50

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[]

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A32B16C14D3E2

Cu3F14H32O16Zr2

Cu6 F28 H64 O32 Zr4

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mp-555139

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2014-02-23 06:26:36

[ 0.04477611940298507, 0.208955223880597, 0.47761194029850745, 0.23880597014925373, 0.029850746268656716 ]

[]

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[]

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pbe

true

58849deed8e87d5e2c1426fb43474785_14_Zr4Cu6H64O32F28

[ "Br", "C", "Rb" ]

10

A7B2C

Br7CRb2

Rb2 C1 Br7

3

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3

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agm004480316

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[{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]

[ "C", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Rb", "Rb" ]

2023-11-16 06:57:59

[ 0.7, 0.1, 0.2 ]

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-24.841863

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0.005072

4.60608

pbe

true

cca9445a6ca85935c38e43920c343e3f_139_Rb2C1Br7

[ "Cu", "Fe", "H", "O", "P" ]

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A28B16C6D4E

CuFe6H16O28P4

Cu1 Fe6 H16 O28 P4

5

[ 1, 1, 1 ]

3

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mp-1213332

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2019-01-12 15:21:54

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30.317

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true

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A7B

As7Hg

Hg1 As7

2

[ 1, 1, 1 ]

3

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agm005488494

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[ "Hg", "As", "As", "As", "As", "As", "As", "As" ]

2023-11-16 06:57:59

[ 0.875, 0.125 ]

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-28.594553

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[ "Cu", "Fe", "La", "O", "Sr" ]

36

A10B3C2D2E

Cu3FeLa2O10Sr2

Cu6 Fe2 La4 O20 Sr4

5

[ 1, 1, 1 ]

3

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mp-1173276

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[{"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": "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"]}]

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2019-01-11 01:30:02

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9.08

5.257317

pbe

true

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[ "Cu", "Fe", "Li", "Mn", "O" ]

28

A16B4C3D3E2

Cu3Fe3Li4Mn2O16

Cu3 Fe3 Li4 Mn2 O16

5

[ 1, 1, 1 ]

3

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mp-774612

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[{"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": "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", "Fe", "Fe", "Fe", "Cu", "Cu", "Cu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-20 22:50:09

[ 0.10714285714285714, 0.10714285714285714, 0.14285714285714285, 0.07142857142857142, 0.5714285714285714 ]

[]

-164.765022

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[]

20.803

2.376506

pbe

true

875b6220a1aa6e08d8d8d8b58c55feb5_8_Li4Mn2Fe3Cu3O16

[ "Cu", "Fe", "Li", "O", "Sb" ]

28

A16B4C3D3E2

Cu3Fe3Li4O16Sb2

Cu3 Fe3 Li4 O16 Sb2

5

[ 1, 1, 1 ]

3

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mp-764385

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[ "Li", "Li", "Li", "Li", "Fe", "Fe", "Fe", "Cu", "Cu", "Cu", "Sb", "Sb", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-14 07:40:49

[ 0.10714285714285714, 0.10714285714285714, 0.14285714285714285, 0.5714285714285714, 0.07142857142857142 ]

[]

-161.728222

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[]

10.707

3.276751

pbe

true

1f6b26b075b61ce20b95d6b0b5b72a2b_8_Li4Fe3Cu3Sb2O16

[ "Cu", "Fe", "Li", "O", "Te" ]

28

A16B4C3D3E2

Cu3Fe3Li4O16Te2

Cu3 Fe3 Li4 O16 Te2

5

[ 1, 1, 1 ]

3

[ [ 6.01561007, 0.05248343, 0.12774819 ], [ -2.96231182, 5.12229314, -0.00088895 ], [ 0.21082061, 0.11999907, 9.8617424 ] ]

mp-777916

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[{"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"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}]

[ "Li", "Li", "Li", "Li", "Fe", "Fe", "Fe", "Cu", "Cu", "Cu", "Te", "Te", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-23 09:38:13

[ 0.10714285714285714, 0.10714285714285714, 0.14285714285714285, 0.5714285714285714, 0.07142857142857142 ]

[]

-158.27116

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[]

12.401

3.620627

pbe

true

4fc0c54e8f38390f2da0da4dbad5ff6a_8_Li4Fe3Cu3Te2O16

[ "Cu", "Fe", "Li", "O", "Ti" ]

28

A16B4C3D3E2

Cu3Fe2Li4O16Ti3

Cu3 Fe2 Li4 O16 Ti3

5

[ 1, 1, 1 ]

3

[ [ 5.88523368, -0.00027846, -0.05299174 ], [ -2.94291868, 5.09931464, 0.00096798 ], [ -0.082896, -0.04637857, 9.62441271 ] ]

mp-778758

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[{"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"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}]

[ "Li", "Li", "Li", "Li", "Ti", "Ti", "Ti", "Fe", "Fe", "Cu", "Cu", "Cu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-23 21:17:37

[ 0.10714285714285714, 0.07142857142857142, 0.14285714285714285, 0.5714285714285714, 0.10714285714285714 ]

[]

-183.423318

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[]

5.194

2.383279

pbe

true

e52bd69cb43e644af84eaf3990fb5fdb_8_Li4Ti3Fe2Cu3O16

[ "Cu", "Fe", "Ni", "O", "P" ]

36

A24B6C3D2E

CuFe3Ni2O24P6

Cu1 Fe3 Ni2 O24 P6

5

[ 1, 1, 1 ]

3

[ [ 8.48082064, -0.08906862, -0.06286782 ], [ 4.19406123, 7.37170913, -0.06286792 ], [ 4.19406117, 2.40979263, 6.96698947 ] ]

mp-767442

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[{"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": "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"]}]

[ "Fe", "Fe", "Fe", "Cu", "Ni", "Ni", "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" ]

2014-02-16 11:29:53

[ 0.027777777777777776, 0.08333333333333333, 0.05555555555555555, 0.6666666666666666, 0.16666666666666666 ]

[]

-239.307341

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[]

18.509

1.153504

pbe

true

1c626642df809f7e68505bf8e16369b1_146_Fe3Cu1Ni2P6O24

[ "As", "Ho" ]

6

A2B

As2Ho

As2 Ho1

2

[ 1, 1, 1 ]

3

[ [ 3.883165964, 0, 0 ], [ 0, 3.883165964, 0 ], [ 0, 0, 8.707573927 ] ]

oqmd-7879954

[ [ 0, 0, 0 ], [ 1.94158, 1.94158, 0 ], [ 1.94158, 0, 3.34263 ], [ 0, 1.94158, 5.364940000000001 ], [ 0, 1.94158, 2.36968 ], [ 1.94158, 0, 6.33789 ] ]

[{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}]

[ "As", "As", "As", "As", "Ho", "Ho" ]

2024-11-01 00:00:00

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 0.18648471, 0, 0 ], [ 0, 0.18648471, 0 ], [ 0, 0, 6.37268616 ] ]

-32.7254

[ 0, 0, 0.001, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.036669 ], [ 0, 0, 0.036669 ], [ 0, 0, -0.020771 ], [ 0, 0, 0.020771 ] ]

-0.00724

null

pbe

true

85b34bf4c3722ce4247165f0c02f36c6_129_Ho2As4

[ "Br", "C", "Se" ]

4

A2BC

BrC2Se

C2 Se1 Br1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.04095433, 3.04095433 ], [ 3.04095433, 0, 3.04095433 ], [ 3.04095433, 3.04095433, 0 ] ]

agm002652213

[ [ 1.520477165, 1.520477165, 1.520477165 ], [ 4.561431495, 4.561431495, 4.561431495 ], [ 0, 0, 0 ], [ 3.04095433, 3.04095433, 3.04095433 ] ]

[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}]

[ "C", "C", "Se", "Br" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 9.202525, 0, 0 ], [ 0, 9.202525, 0 ], [ 0, 0, 9.202525 ] ]

-11.811184

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

1.951772

pbe

true

a8c998f24c7ef0d61dff99a5e7a46d9d_225_C2Se1Br1

[ "Cl", "K", "Rh" ]

4

A2BC

Cl2KRh

K1 Rh1 Cl2

3

[ 1, 1, 1 ]

3

[ [ 4.65397604, 0, 0 ], [ 0, 4.91931846, 0.26227124 ], [ 0, 0.40252307, 4.65279249 ] ]

agm003996078

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[{"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": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "K", "Rh", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.2675557, 0, 0 ], [ 0, 2.1541913, 0.10603952 ], [ 0, 0.10603951, 2.307721 ] ]

-15.252039

[ 0, 0, 0, 0 ]

[ [ 0, -0.00056295, -0.00006597 ], [ 0, 0.00195989, 0.00040818 ], [ 0, -0.00036815, -0.0031964 ], [ 0, -0.00102879, 0.0028542 ] ]

0

3.362102

pbe

true

ccb59169fd4463d54147df1cbe754a21_6_K1Rh1Cl2

[ "Co", "Rb", "Se" ]

4

A2BC

CoRb2Se

Rb2 Co1 Se1

3

[ 1, 1, 1 ]

3

[ [ 0, 4.12607892, 4.12607892 ], [ 4.12607892, 0, 4.12607892 ], [ 4.12607892, 4.12607892, 0 ] ]

agm002664056

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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}]

[ "Co", "Se", "Rb", "Rb" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.49843627, 0, 0 ], [ 0, 0.49843627, 0 ], [ 0, 0, 0.49843627 ] ]

-11.290136

[ 2.231, 0.18, 0.005, 0.005 ]

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2.857163

4.705079

pbe

true

5ec4798c6fa0cdc9a505b41707bc5ec4_225_Rb2Co1Se1

[ "Nb", "Sc", "Zn" ]

4

A2BC

Nb2ScZn

Nb2 Sc1 Zn1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.311716, 3.311716 ], [ 3.311716, 0, 3.311716 ], [ 3.311716, 3.311716, 0 ] ]

oqmd-2359985

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[{"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": "Zn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zn"]}]

[ "Nb", "Nb", "Sc", "Zn" ]

2024-11-01 00:00:00

[ 0.5, 0.25, 0.25 ]

[ [ 4.54492, 0, 0 ], [ 0, 4.54492, 0 ], [ 0, 0, 4.54492 ] ]

-27.5882

[ -0.003, -0.01, 0, 0 ]

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-0.033242

null

pbe

true

b175a508843bbf660b5a7bb06b7fdded_216_Sc1Nb2Zn1

[ "Cu", "Ga", "O", "Sr", "Tm" ]

26

A7B2C2DE

Cu2GaO7Sr2Tm

Cu4 Ga2 O14 Sr4 Tm2

5

[ 1, 1, 1 ]

3

[ [ 0, 0, -5.38519959 ], [ 0, -5.49413721, 0 ], [ -11.56816755, 2.7470686, 2.69259929 ] ]

mp-1208765

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[{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"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": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}]

[ "Sr", "Sr", "Sr", "Sr", "Tm", "Tm", "Ga", "Ga", "Cu", "Cu", "Cu", "Cu", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-12 11:37:12

[ 0.15384615384615385, 0.07692307692307693, 0.5384615384615384, 0.15384615384615385, 0.07692307692307693 ]

[ [ 2.87709727, 0, 1.3e-7 ], [ 0, 2.54635013, 0 ], [ 1.3e-7, 0, 3.97023896 ] ]

-162.893675

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0

3.43793

pbe

true

e189412f2527c35b4da58d73331af87f_46_Sr4Tm2Ga2Cu4O14

[ "Cl", "K", "Rh" ]

5

A3BC

Cl3KRh

K1 Rh1 Cl3

3

[ 1, 1, 1 ]

3

[ [ 4.89879128, 0, 0 ], [ 0, 4.89879128, 0 ], [ 0, 0, 4.89879128 ] ]

agm001103422

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[{"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": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}]

[ "K", "Rh", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 1.6953745, 0, 0 ], [ 0, 1.6953745, 0 ], [ 0, 0, 1.6953745 ] ]

-18.834532

[ 0, 0, 0, 0, 0 ]

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-0.000026

2.665123

pbe

true

d5574afe79c645d6070c3d7dde43a6da_221_K1Rh1Cl3

[ "Ba", "Sr" ]

5

A4B

Ba4Sr

Ba4 Sr1

2

[ 1, 1, 1 ]

3

[ [ -4.5606401, 4.5606401, 4.5606401 ], [ 4.5606401, -4.5606401, 4.5606401 ], [ 4.5606401, 4.5606401, -4.5606401 ] ]

agm005410562

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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}]

[ "Ba", "Ba", "Ba", "Ba", "Sr" ]

2023-11-16 06:57:59

[ 0.8, 0.2 ]

[ [ 0.3342027, 0, 0 ], [ 0, 0.3342027, 0 ], [ 0, 0, 0.3342027 ] ]

-7.224962

[ 0.004, 0.004, 0.004, 0.004, 0.006 ]

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0.090111

11.435913

pbe

true

4a18d7723be2d45a78409bf7f7bfff7b_229_Ba4Sr1

[ "Ba", "Th" ]

2

AB

BaTh

Ba1 Th1

2

[ 1, 1, 1 ]

3

[ [ 3.72769966, 0, 0 ], [ -1.86384983, 3.22828261, 0 ], [ 0, 0, 6.67682626 ] ]

agm005259186

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[{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}]

[ "Ba", "Th" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 0.29931387, 0, 0 ], [ 0, 0.29931387, 0 ], [ 0, 0, 0.3105664 ] ]

-8.452822

[ 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0.000045

3.196784

pbe

true

71f13a0821bd6b6b966e1d8924c24ed2_187_Ba1Th1

[ "Cu", "H", "K", "O", "P" ]

40

A5B2CDE

CuH2KO5P

Cu4 H8 K4 O20 P4

5

[ 1, 1, 1 ]

3

[ [ 10.58509847, 0, -0.53829421 ], [ 0, 6.87778745, 0 ], [ 0.01431318, 0, 6.80908534 ] ]

mp-706287

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[{"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": "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": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "K", "K", "K", "K", "Cu", "Cu", "Cu", "Cu", "P", "P", "P", "P", "H", "H", "H", "H", "H", "H", "H", "H", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2013-12-19 18:13:37

[ 0.1, 0.2, 0.1, 0.5, 0.1 ]

[]

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[]

3.404

1.202372

pbe

true

316e1c9b9013a08f82810e7143ea5710_14_K4Cu4P4H8O20