LeMaterial/LeMat-Bulk · Datasets at Hugging Face

[ "Al", "N", "Nb" ]

8

A2BC

AlNNb2

Al1 N1 Nb2

3

[ 1, 1, 1 ]

3

[ [ 3.010570109, 0, 0 ], [ -1.505285054, 2.607230194, 0 ], [ 0, 0, 14.401053769 ] ]

oqmd-8493567

[ [ 1.5052900000000005, 0.8690799999999999, 3.600259999999999 ], [ 1.4397898782386138e-16, 1.73815, 10.80079 ], [ 0, 0, 0 ], [ 0, 0, 7.200529999999999 ], [ 1.4397898782386138e-16, 1.73815, 1.36105 ], [ 1.4397898782386138e-16, 1.73815, 5.83948 ], [ 1.5052900000000005, 0.8690799999999999, 8.56158 ], [ 1.5052900000000005, 0.8690799999999999, 13.039999999999996 ] ]

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

[ "Al", "Al", "N", "N", "Nb", "Nb", "Nb", "Nb" ]

2024-11-01 00:00:00

[ 0.25, 0.25, 0.5 ]

[ [ 13.45308058, 0, 0 ], [ 0, 13.45308058, 0 ], [ 0, 0, 13.29251775 ] ]

-70.0496

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.01573 ], [ 0, 0, 0.01573 ], [ 0, 0, -0.01573 ], [ 0, 0, 0.01573 ] ]

0.001091

null

pbe

true

a605cc4e4069b4cdbde5a7e8808ca649_194_Nb4Al2N2

[ "H", "Hg", "O", "S", "Zn" ]

76

A11B2C2D2E2

H2Hg2O11S2Zn2

H8 Hg8 O44 S8 Zn8

5

[ 1, 1, 1 ]

3

[ [ 6.2082475, 0, 0 ], [ 0, 11.41969807, 0 ], [ 0, 0, 13.2705539 ] ]

mp-761169

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

2014-05-05 09:54:09

[ 0.10526315789473684, 0.10526315789473684, 0.5789473684210527, 0.10526315789473684, 0.10526315789473684 ]

[]

-378.118039

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[]

0

1.52952

pbe

true

b1f3a8c056d05a00ce84db7560491fba_57_Zn8Hg8H8S8O44

[ "Cl", "Mg", "Tl" ]

12

A3B2C

Cl3Mg2Tl

Mg4 Tl2 Cl6

3

[ 1, 1, 1 ]

3

[ [ 11.42369493, -2e-7, 0 ], [ 5.8e-7, 6.08627531, 0 ], [ 0, 0, 19.2236729 ] ]

agm2000089778

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

[ "Mg", "Mg", "Mg", "Mg", "Tl", "Tl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.5, 0.3333333333333333, 0.16666666666666666 ]

[ [ 0.21620965, 2e-8, 0 ], [ 2e-8, 0.27116424, -0.0037668 ], [ 0, -0.00376678, -0.17375933 ] ]

-34.548646

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

[ [ -0.00271688, -0.00017831, 0.01372973 ], [ 0.00271688, -0.00017831, 0.01372973 ], [ -0.00271688, -0.00017831, 0.01372973 ], [ 0.00271688, -0.00017831, 0.01372973 ], [ 0, -0.00356025, -0.00305052 ], [ 0, -0.00356025, -0.00305052 ], [ 0.00081934, 0.00231476, -0.00943923 ], [ -0.00081934, 0.00231476, -0.00943923 ], [ 0.00081934, 0.00231476, -0.00943923 ], [ -0.00081934, 0.00231476, -0.00943923 ], [ 0, -0.00071265, -0.00553048 ], [ 0, -0.00071265, -0.00553048 ] ]

0

-0.070012

pbe

true

4baddcd35c9632f80cac8904aa61845a_8_Mg4Tl2Cl6

[ "H", "I", "K", "O", "Pb" ]

44

A4B3C2DE

H4I3KO2Pb

H16 I12 K4 O8 Pb4

5

[ 1, 1, 1 ]

3

[ [ 0, -4.62873331, 0 ], [ -10.39347764, 0, 0 ], [ 0, 0, -22.90977903 ] ]

mp-1223740

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[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}]

[ "K", "K", "K", "K", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "Pb", "Pb", "Pb", "Pb", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-13 00:05:37

[ 0.36363636363636365, 0.2727272727272727, 0.09090909090909091, 0.18181818181818182, 0.09090909090909091 ]

[ [ 0.85080864, 0, 0 ], [ 0, -0.34362304, 0 ], [ 0, 0, 0.67671836 ] ]

-175.879654

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0

0.64964

pbe

true

017e5e3899cccf686b11b7050769ac94_33_K4H16Pb4I12O8

[ "Cl", "Mg", "Y" ]

4

A2BC

ClMgY2

Y2 Mg1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 3.58186296, 0, 0 ], [ 0, 3.7402202, -0.02415108 ], [ 0, 0.05411016, 8.31967782 ] ]

agm004114787

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2023-11-16 06:57:59

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mp-698151

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2014-05-02 18:28:13

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mp-707924

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2014-05-30 10:21:37

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[]

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true

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BrCa4Te3

Ca4 Te3 Br1

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3

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agm006037716

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2023-11-16 06:57:59

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H6In2Na2O17P4

H12 In4 Na4 O34 P8

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mp-762594

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2015-01-06 19:45:15

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2023-11-16 06:57:59

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2019-01-12 14:46:13

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2013-12-27 23:32:49

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[]

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[]

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true

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50

A12B8C2D2E

H8K2MnO12S2

H16 K4 Mn2 O24 S4

5

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3

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mp-1224065

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2019-01-13 00:22:08

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-279.730976

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9.588

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true

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[ "Ni", "Pt", "Zn" ]

3

ABC

NiPtZn

Zn1 Ni1 Pt1

3

[ 1, 1, 1 ]

3

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agm003886352

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[ "Ni", "Pt", "Zn" ]

2023-11-16 06:57:59

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-13.907094

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0.001079

2.302244

pbe

true

1db18b54dc540bce4f7d66c3dcc98584_107_Zn1Ni1Pt1

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64

A9B2C2D2E

H2K2MoO9S2

H8 K8 Mo4 O36 S8

5

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mp-744317

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

[ "K", "K", "K", "K", "K", "K", "K", "K", "Mo", "Mo", "Mo", "Mo", "H", "H", "H", "H", "H", "H", "H", "H", "S", "S", "S", "S", "S", "S", "S", "S", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-01-19 16:36:21

[ 0.125, 0.125, 0.0625, 0.5625, 0.125 ]

[]

-369.490674

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[]

3.8

1.40914

pbe

true

9e3176555d2616a1beaaaa2f2cde4139_15_K8Mo4H8S8O36

[ "Br", "Ca", "Zr" ]

4

A2BC

Br2CaZr

Ca1 Zr1 Br2

3

[ 1, 1, 1 ]

3

[ [ 10.42867364, 0.01774855, 0.01045701 ], [ 9.81307788, 3.53002143, 0.01045701 ], [ 9.81307788, 1.71993728, 3.0826898 ] ]

agm003822305

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

[ "Ca", "Br", "Br", "Zr" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 0.94042045, 0.02858602, 0.01684218 ], [ 0.02858602, 0.7823336, 0.00295193 ], [ 0.01684218, 0.00295193, 0.7790625 ] ]

-16.853059

[ 0.034, 0.002, 0.002, 0.026 ]

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0.174829

3.841608

pbe

true

12a8262bc15ba530a06e21bc9b8faf91_166_Ca1Zr1Br2

[ "H", "K", "N", "O", "Pd" ]

21

A10B4C4D2E

H4K2N4O10Pd

H4 K2 N4 O10 Pd1

5

[ 1, 1, 1 ]

3

[ [ 6.79118998, -0.08676406, -1.55904007 ], [ -1.71176824, 6.14773434, -3.38849429 ], [ -0.24605594, 0.09526925, 7.49244515 ] ]

mp-1192109

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

[ "K", "K", "H", "H", "H", "H", "Pd", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-11 22:13:22

[ 0.19047619047619047, 0.09523809523809523, 0.19047619047619047, 0.47619047619047616, 0.047619047619047616 ]

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-120.314803

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0

1.303001

pbe

true

216b5dbfbe726245d121253c25b5d6c9_2_K2H4Pd1N4O10

[ "H", "K", "N", "O", "S" ]

24

A6B2C2DE

HK2NO6S2

H2 K4 N2 O12 S4

5

[ 1, 1, 1 ]

3

[ [ -0.04886704, 0, -7.39231029 ], [ 0, -7.32032877, 0 ], [ -12.63319197, 0, 0.18802206 ] ]

mp-1223877

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

[ "K", "K", "K", "K", "H", "H", "S", "S", "S", "S", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2019-01-13 00:12:35

[ 0.08333333333333333, 0.16666666666666666, 0.08333333333333333, 0.5, 0.16666666666666666 ]

[ [ 0.15757742, 0, 0.24169415 ], [ 0, 1.90251386, 0 ], [ 0.24169414, 0, -0.31675398 ] ]

-136.644538

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

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0

-3.005331

pbe

true

dff259cc846a848c5ca577f4daf54fde_7_K4H2S4N2O12

[ "Br", "Ca", "Zr" ]

4

A2BC

BrCaZr2

Ca1 Zr2 Br1

3

[ 1, 1, 1 ]

3

[ [ 3.31388835, 0.00534618, 0 ], [ -1.60261763, 2.90060361, 0 ], [ 0, 0, 10.69477253 ] ]

agm003814071

[ [ 0.8556353600000001, 1.452974895, 8.0210793975 ], [ 0.8556353600000001, 1.452974895, 2.6736931325 ], [ 0, 0, 0.327383029302095 ], [ 0, 0, 5.020003235697905 ] ]

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

[ "Ca", "Br", "Zr", "Zr" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.9335423, -0.08832416, 0 ], [ -0.08832416, 1.8355697, 0 ], [ 0, 0, 1.5809458 ] ]

-20.463475

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00175216 ], [ 0, 0, 0.00175216 ] ]

0.000025

3.616751

pbe

true

548297795944187ab1d10737b8836b6a_65_Ca1Zr2Br1

[ "Cl", "Mn", "Nb" ]

4

A2BC

Cl2MnNb

Mn1 Nb1 Cl2

3

[ 1, 1, 1 ]

3

[ [ 0, 3.05499079, 3.05499079 ], [ 3.05499079, 0, 3.05499079 ], [ 3.05499079, 3.05499079, 0 ] ]

agm002659451

[ [ 3.05499079, 3.05499079, 3.05499079 ], [ 0, 0, 0 ], [ 1.527495395, 1.527495395, 1.527495395 ], [ 4.5824861850000005, 4.5824861850000005, 4.5824861850000005 ] ]

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

[ "Nb", "Mn", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ -0.14894918, 0, 0 ], [ 0, -0.14894918, 0 ], [ 0, 0, -0.14894918 ] ]

-20.519874

[ 0, 0, 0, 0 ]

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

-0.000182

4.891443

pbe

true

e9b0befaa3484747effe03d6e1e52e61_225_Mn1Nb1Cl2

[ "Ag", "Au", "Sn" ]

10

A2B2C

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2023-11-16 06:57:59

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2014-05-03 09:01:43

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2019-01-12 08:27:54

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2014-01-06 07:28:56

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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H1 K3 O44 Si12 Zr4

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2019-01-13 02:03:12

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H24 La8 Li12 N36 O120

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2014-01-06 03:50:43

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[]

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pbe

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[ "H", "Li", "Mn", "O", "P" ]

19

A10B4C2D2E

H4LiMn2O10P2

Li1 Mn2 P2 H4 O10

5

[ 1, 1, 1 ]

3

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2023-11-16 06:57:59

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H3 Li2 Mn2 O16 P4

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mp-763324

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2015-01-06 20:18:44

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[]

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H2LiMnO5P

H8 Li4 Mn4 O20 P4

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mp-780580

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2014-02-24 22:37:26

[ 0.2, 0.1, 0.1, 0.5, 0.1 ]

[]

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[]

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A11B5C2D2E

H5LiMn2O11P2

H20 Li4 Mn8 O44 P8

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mp-780864

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2014-02-25 13:04:04

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[]

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[]

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132

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H6Li4MnO18S4

H24 Li16 Mn4 O72 S16

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mp-777769

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2014-02-23 21:07:06

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[]

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[]

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112

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mp-728669

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2014-01-19 19:13:25

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2014-01-06 05:05:01

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[]

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[]

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pbe

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[ "Br", "Cd", "In" ]

4

A2BC

Br2CdIn

Cd1 In1 Br2

3

[ 1, 1, 1 ]

3

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agm002757076

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[ "Cd", "Br", "Br", "In" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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132

A10B8C2DE

H8LiNaO10P2

H48 Li6 Na6 O60 P12

5

[ 1, 1, 1 ]

3

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2014-01-06 18:33:15

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2014-02-26 17:45:28

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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H2LiO5PZn

H16 Li8 O40 P8 Zn8

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mp-703550

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2013-12-26 11:12:47

[ 0.2, 0.1, 0.5, 0.1, 0.1 ]

[]

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[]

0

0.754813

pbe

true

a493ba8f617b94b54a78db1dc91aca66_29_Li8Zn8P8H16O40

[ "Br", "Cd", "Pb" ]

6

A4BC

BrCdPb4

Cd1 Pb4 Br1

3

[ 1, 1, 1 ]

3

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agm005476610

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[ "Cd", "Pb", "Pb", "Pb", "Pb", "Br" ]

2023-11-16 06:57:59

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[ "Br", "Cd", "Pr" ]

4

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BrCdPr2

Pr2 Cd1 Br1

3

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3

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[ "Pr", "Pr", "Br", "Cd" ]

2023-11-16 06:57:59

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[ "Ni", "Pu", "Ru" ]

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Ni2PuRu

Pu1 Ni2 Ru1

3

[ 1, 1, 1 ]

3

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[ "Ru", "Ni", "Ni", "Pu" ]

2023-11-16 06:57:59

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pbe

true

53f841ec686143b4dae0aac1fbc08fe0_123_Pu1Ni2Ru1

[ "H", "Mg", "Na", "O", "S" ]

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A12B8C2D2E

H8MgNa2O12S2

H16 Mg2 Na4 O24 S4

5

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3

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mp-559135

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2014-03-06 11:47:01

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2019-01-12 00:45:46

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2023-11-16 06:57:59

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0.15881

0

pbe

true

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[ "Cl", "La", "Sr" ]

4

A2BC

ClLaSr2

Sr2 La1 Cl1

3

[ 1, 1, 1 ]

3

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agm004082754

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[ "Cl", "La", "Sr", "Sr" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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-12.310371

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0.419862

5.783884

pbe

true

ffd56003299ff9292f676ef4529a44e9_71_Sr2La1Cl1

[ "H", "Mo", "N", "O", "Pd" ]

44

A12B4C4DE

H12MoN4O4Pd

H24 Mo2 N8 O8 Pd2

5

[ 1, 1, 1 ]

3

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mp-728329

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2019-01-12 00:47:20

[ 0.5454545454545454, 0.045454545454545456, 0.18181818181818182, 0.18181818181818182, 0.045454545454545456 ]

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-242.283361

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pbe

true

355b3b6a287f9f398bd231663f33f8c0_141_Mo2H24Pd2N8O8

[ "H", "Mo", "Na", "O", "Te" ]

103

A46B44C6D6E

H44Mo6Na6O46Te

H44 Mo6 Na6 O46 Te1

5

[ 1, 1, 1 ]

3

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mp-1200032

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

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2019-04-01 17:47:38

[ 0.42718446601941745, 0.05825242718446602, 0.05825242718446602, 0.44660194174757284, 0.009708737864077669 ]

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-559.13996

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0

-1.380843

pbe

true

75743f60a1da764ae9f17f5e159c1b21_2_Na6Te1Mo6H44O46

[ "H", "Mo", "Na", "O", "Zn" ]

36

A5BCDE

HMoNaO5Zn

H4 Mo4 Na4 O20 Zn4

5

[ 1, 1, 1 ]

3

[ [ 6.25973472, 0, 0 ], [ 0, 7.9507502, 0 ], [ 0, 0, 9.39615026 ] ]

mp-504495

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

[ "Na", "Na", "Na", "Na", "Zn", "Zn", "Zn", "Zn", "Mo", "Mo", "Mo", "Mo", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "H", "H", "H", "H" ]

2014-03-04 15:44:13

[ 0.1111111111111111, 0.1111111111111111, 0.1111111111111111, 0.5555555555555556, 0.1111111111111111 ]

[ [ -0.57679454, 0, 0 ], [ 0, -0.37801628, 0 ], [ 0, 0, 0.26226209 ] ]

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2014-01-15 19:30:19

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2019-06-06 17:55:33

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2014-01-19 16:34:01

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2020-05-08 03:48:10

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2013-12-21 18:15:46

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[{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

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2023-11-16 06:57:59

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mp-603612

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2013-05-24 12:06:36

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2013-12-01 06:58:15

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H2NO3RbS

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3

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mp-773491

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2014-02-19 15:12:29

[ 0.25, 0.125, 0.375, 0.125, 0.125 ]

[]

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[]

0

0.41277

pbe

true

fd8e259d493e7ae7e5548c56359ac105_61_Rb8H16S8N8O24

[ "Br", "Cd", "Pt" ]

11

A8B2C

Br8Cd2Pt

Cd2 Pt1 Br8

3

[ 1, 1, 1 ]

3

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agm005916632

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[ "Cd", "Cd", "Pt", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.7272727272727273, 0.18181818181818182, 0.09090909090909091 ]

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0

pbe

true

ae9818929e50c156b919be0dda70994f_12_Cd2Pt1Br8

[ "Ni", "Pu", "Sn" ]

4

A2BC

Ni2PuSn

Pu1 Ni2 Sn1

3

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3

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agm001127216

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[ "Ni", "Ni", "Sn", "Pu" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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5.20774

8.137669

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true

716f626f02f145eb93100a021babe327_123_Pu1Ni2Sn1

[ "H", "N", "O", "S", "Sm" ]

56

A11B10C3D3E

H10N3O11S3Sm

H20 N6 O22 S6 Sm2

5

[ 1, 1, 1 ]

3

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mp-781997

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[ "Sm", "Sm", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "S", "S", "S", "S", "S", "S", "N", "N", "N", "N", "N", "N", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-02-27 04:22:48

[ 0.35714285714285715, 0.10714285714285714, 0.39285714285714285, 0.10714285714285714, 0.03571428571428571 ]

[]

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[]

0

-0.317004

pbe

true

347194e1a14d35ac7a1af7ff1a23c158_2_Sm2H20S6N6O22

[ "Br", "Cd", "Sb" ]

10

A2B2C

BrCd2Sb2

Cd4 Sb4 Br2

3

[ 1, 1, 1 ]

3

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agm003394054

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[ "Cd", "Cd", "Cd", "Cd", "Sb", "Sb", "Sb", "Sb", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

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0

2.271993

pbe

true

52c03dd3a435c5b0ee557d1e2ac701e4_12_Cd4Sb4Br2

[ "Br", "Cl", "Cu" ]

4

A2BC

BrClCu2

Cu2 Br1 Cl1

3

[ 1, 1, 1 ]

3

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agm003981387

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

[ "Cu", "Cu", "Br", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

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0

2.473601

pbe

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22ef5027fb7f6a2170df66de874fea89_123_Cu2Br1Cl1

[ "H", "N", "S", "Sb", "Zn" ]

69

A42B14C8D3E2

H42N14S8Sb2Zn3

H42 N14 S8 Sb2 Zn3

5

[ 1, 1, 1 ]

3

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mp-1203249

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[ "Zn", "Zn", "Zn", "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", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "S", "S", "S", "S", "S", "S", "S", "S", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N", "N" ]

2019-01-12 07:08:19

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0

1.48044

pbe

true

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[ "F", "O", "Rb", "Sc", "Si" ]

96

A10B5C4D3E2

F5O10Rb3Sc2Si4

F20 O40 Rb12 Sc8 Si16

5

[ 1, 1, 1 ]

3

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mp-1196025

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2019-01-12 01:16:36

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H2NaO8P2Sc

H8 Na4 O32 P8 Sc4

5

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3

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mp-779682

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2014-02-24 08:34:46

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[]

-387.085704

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[]

0

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true

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[ "H", "Na", "O", "P", "Se" ]

29

A16B5C4D3E

H5Na4O16PSe3

H5 Na4 O16 P1 Se3

5

[ 1, 1, 1 ]

3

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mp-676527

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2013-11-16 00:06:23

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true

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Ag1 Er1 Si1

3

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oqmd-5922276

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[ "Ag", "Ag", "Ag", "Ag", "Er", "Er", "Er", "Er", "Si", "Si", "Si", "Si" ]

2024-11-01 00:00:00

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62

A15B8C4D2E2

H8Nd2O15P2S4

H16 Nd4 O30 P4 S8

5

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mp-1221087

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2019-01-12 21:50:01

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true

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[ "H", "O", "P", "S", "Sr" ]

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A10B5C3DE

H10O5PS3Sr

H40 O20 P4 S12 Sr4

5

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mp-1201697

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2019-01-12 05:52:05

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A24B7C2D2E

HO24P7Ta2Tl2

H2 O48 P14 Ta4 Tl4

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mp-758895

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2014-05-06 22:58:16

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-533.869866

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[]

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true

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[ "Br", "Cl", "Dy" ]

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A3B3C2

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Dy2 Br3 Cl3

3

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3

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agm2000052818

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[ "Dy", "Dy", "Br", "Br", "Br", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

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pbe

true

9f4423fc1e38c534b8dce35f42cad37e_6_Dy2Br3Cl3

[ "Ni", "Re", "Tl" ]

3

ABC

NiReTl

Tl1 Re1 Ni1

3

[ 1, 1, 1 ]

3

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agm004317030

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[ "Ni", "Re", "Tl" ]

2023-11-16 06:57:59

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0

1.238728

pbe

true

e39444240f4331a2fbb5d470917ff234_107_Tl1Re1Ni1

[ "Cl", "La", "Ta" ]

5

A3BC

Cl3LaTa

La1 Ta1 Cl3

3

[ 1, 1, 1 ]

3

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agm002445688

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[ "Cl", "Cl", "Cl", "Ta", "La" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

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0.002559

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pbe

true

1794f6ac925a10b1dea83f874d294e17_221_La1Ta1Cl3

[ "Cl", "La", "V" ]

10

A2B2C

Cl2La2V

La4 V2 Cl4

3

[ 1, 1, 1 ]

3

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agm002968716

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[ "V", "V", "La", "La", "La", "La", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

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8.40343

9.734241

pbe

true

291d2780fd7cec4ee049ee766d381cfb_127_La4V2Cl4

[ "Ho", "K", "O", "P", "W" ]

52

A8B2CDE

HoK2O8PW

Ho4 K8 O32 P4 W4

5

[ 1, 1, 1 ]

3

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mp-555335

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[ "K", "K", "K", "K", "K", "K", "K", "K", "Ho", "Ho", "Ho", "Ho", "P", "P", "P", "P", "W", "W", "W", "W", "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" ]

2014-02-24 06:14:16

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[]

-368.025478

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[]

0

-0.054324

pbe

true

4c0d7415086afb869dcf6d75b5d6e900_73_K8Ho4P4W4O32

[ "Ho", "Mo", "Na", "O", "P" ]

52

A8B2CDE

HoMoNa2O8P

Ho4 Mo4 Na8 O32 P4

5

[ 1, 1, 1 ]

3

[ [ 6.6079525, 0, 2.094461 ], [ 2.05013633, 10.12539646, 5.00305111 ], [ -0.00234306, 0.00405935, 11.47855428 ] ]

mp-559910

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

2014-02-18 15:10:43

[ 0.07692307692307693, 0.07692307692307693, 0.15384615384615385, 0.6153846153846154, 0.07692307692307693 ]

[]

-361.822183

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[]

0

0.103229

pbe

true

d1f9436b111a45d674413d89349e2368_73_Na8Ho4Mo4P4O32

[ "Br", "Cl", "Fe" ]

4

A2BC

BrClFe2

Fe2 Br1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 4.61878203, -0.04733677, -0.01683659 ], [ 3.48681904, 3.02943578, -0.01683659 ], [ 3.9344838, 1.44752007, 5.81321009 ] ]

agm003863102

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

[ "Fe", "Fe", "Br", "Cl" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 3.1676562, -0.07454891, 0.00100887 ], [ -0.07454891, 3.3428595, 0.00037117 ], [ 0.00100831, 0.00037096, 3.2546463 ] ]

-20.040082

[ 2.909, 2.909, 0.052, 0.092 ]

[ [ -0.00189535, -0.00069731, -0.00857596 ], [ 0.00189535, 0.00069731, 0.00857596 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

6.137259

2.672115

pbe

true

215d4a88a31bc2b4a546b484765009eb_12_Fe2Br1Cl1

[ "In", "Li", "O", "P", "Ti" ]

73

A48B12C7D5E

InLi5O48P12Ti7

In1 Li5 O48 P12 Ti7

5

[ 1, 1, 1 ]

3

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mp-683616

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2013-11-19 01:14:47

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2013-11-17 15:16:04

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mp-2712892

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2022-06-30 12:36:06

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0

1.162011

pbe

true

352d0d0b7899ae6e696a30d420d33b1c_1_Nb3In9Si3S15O72

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

30

A18B4C3D3E2

Ir3La2Mn3O18Sr4

Ir3 La2 Mn3 O18 Sr4

5

[ 1, 1, 1 ]

3

[ [ 4.01092395, 0, 4.01092395 ], [ -4.01092395, 4.01092395, 0 ], [ -7.9889477, -7.9889477, 7.9889477 ] ]

mp-1218666

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

2019-01-12 19:47:48

[ 0.1, 0.06666666666666667, 0.1, 0.6, 0.13333333333333333 ]

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-213.635332

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1e64adf83d8fa3c4ffb9487c3348e15f_164_Sr4La2Mn3Ir3O18

[ "Cl", "Li", "Mg" ]

4

A2BC

Cl2LiMg

Li1 Mg1 Cl2

3

[ 1, 1, 1 ]

3

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agm002692179

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[ "Mg", "Li", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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e45856d5459fbc563e4ddf97951782ca_225_Li1Mg1Cl2

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A10B3C2D2E

K2La2MgO10Ti3

K2 La2 Mg1 O10 Ti3

5

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3

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mp-2233146

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2022-05-01 04:01:31

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AB

PTl

Tl4 P4

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agm1000005317

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[ "P", "P", "P", "P", "Tl", "Tl", "Tl", "Tl" ]

2023-11-16 06:57:59

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1ee2c231d16e0ab0e09de122d7a05a78_1_Tl4P4

[ "K", "La", "Na", "O", "Ta" ]

18

A5BCDE

KLaNaO5Ta

K2 La2 Na2 O10 Ta2

5

[ 1, 1, 1 ]

3

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mp-861868

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[ "K", "K", "Na", "Na", "La", "La", "Ta", "Ta", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2014-08-22 13:43:22

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[]

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[]

0

1.992596

pbe

true

e9074bb16dd8bcb5ad0377f6b4700360_129_K2Na2La2Ta2O10

[ "K", "Li", "O", "P", "Sb" ]

84

A8B2C2DE

KLi2O8P2Sb

K6 Li12 O48 P12 Sb6

5

[ 1, 1, 1 ]

3

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mp-759715

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2014-05-30 19:38:46

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2013-11-16 23:21:37

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2023-11-16 06:57:59

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2014-03-06 20:32:55

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