LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "Er", "P", "Pm" ]

4

A2BC

ErP2Pm

Er1 P2 Pm1

3

[ 1, 1, 1 ]

3

[ [ 4.052604288, 0, 0 ], [ 0, 4.052604288, 0 ], [ 0, 0, 5.730706287 ] ]

oqmd-6334405

[ [ 0, 0, 0 ], [ 2.0263, 2.0263, 0 ], [ 0, 0, 2.86535 ], [ 2.0263, 2.0263, 2.86535 ] ]

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

[ "Er", "P", "P", "Pm" ]

2024-11-01 00:00:00

[ 0.25, 0.5, 0.25 ]

[ [ 1.87146774, 0, 0 ], [ 0, 1.87146774, 0 ], [ 0, 0, 2.19365708 ] ]

-26.3955

[ 0, 0, 0, 0 ]

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

0.001462

null

pbe

true

378d37c8eab2a60eaed1dfd6b43d39b6_123_Pm1Er1P2

[ "Ce", "Nd", "Sm", "Th" ]

4

ABCD

CeNdSmTh

Ce1 Nd1 Sm1 Th1

4

[ 1, 1, 1 ]

3

[ [ 5.70649174, 0, 0 ], [ 2.85324587, 4.94196682, 0 ], [ 2.85324587, 1.64732227, 4.659331 ] ]

agm001411378

[ [ 0, 0, 0 ], [ 2.85324587, 1.6473222725, 1.16483275 ], [ 5.70649174, 3.294644545, 2.3296655 ], [ 8.559737609999999, 4.9419668175, 3.49449825 ] ]

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

[ "Ce", "Nd", "Sm", "Th" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 0.96452016, 0, 0 ], [ 0, 0.96452016, 0 ], [ 0, 0, 0.96452016 ] ]

-21.890384

[ 0.777, 0.131, 0.118, 0.229 ]

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

1.926937

13.802827

pbe

true

65f442846035054788b68067a80b7509_216_Ce1Nd1Sm1Th1

[ "Ac", "Ba", "K" ]

5

A3BC

AcBa3K

K1 Ba3 Ac1

3

[ 1, 1, 1 ]

3

[ [ 7.1728917, 0, 0 ], [ 0, 7.1728917, 0 ], [ 0, 0, 7.1728917 ] ]

agm001106531

[ [ 3.58644585, 3.58644585, 3.58644585 ], [ 0, 0, 0 ], [ 0, 3.58644585, 0 ], [ 0, 0, 3.58644585 ], [ 3.58644585, 0, 0 ] ]

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

[ "K", "Ac", "Ba", "Ba", "Ba" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.23615639, 0, 0 ], [ 0, 0.23615639, 0 ], [ 0, 0, 0.23615639 ] ]

-8.380474

[ 0.002, 0.369, 0.121, 0.121, 0.121 ]

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

2.441538

10.332063

pbe

true

9a101c95759fd6c0453eb0e68cd1a979_221_K1Ba3Ac1

[ "Hg", "Pt", "W" ]

5

A3BC

Hg3PtW

Hg3 Pt1 W1

3

[ 1, 1, 1 ]

3

[ [ 5.26516457, 0, 0 ], [ 0, 5.26516457, 0 ], [ 0, 0, 5.26516457 ] ]

agm002622802

[ [ 0, 0, 0 ], [ 0, 2.632582285, 0 ], [ 0, 0, 2.632582285 ], [ 2.632582285, 0, 0 ], [ 2.632582285, 2.632582285, 2.632582285 ] ]

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

[ "W", "Hg", "Hg", "Hg", "Pt" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 5.342482, 0, 0 ], [ 0, 5.342482, 0 ], [ 0, 0, 5.342482 ] ]

-11.879459

[ 1.233, 0.049, 0.07, 0.039, 0.118 ]

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

1.820226

5.495855

pbe

true

1d24d5a4e17d3d76eabc7e9e408a2d79_221_Hg3Pt1W1

[ "Ag", "As", "P", "Se" ]

5

A2BCD

AgAs2PSe

Ag1 As2 P1 Se1

4

[ 1, 1, 1 ]

3

[ [ 4.72964929, 0, 0 ], [ 0, 4.72964929, 0 ], [ 0, 0, 5.0019913 ] ]

agm001678167

[ [ 0, 0, 0 ], [ 0, 2.364824645, 0 ], [ 2.364824645, 0, 0 ], [ 0, 0, 2.50099565 ], [ 2.364824645, 2.364824645, 2.50099565 ] ]

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

[ "P", "As", "As", "Se", "Ag" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 1.8588101, 0, 0 ], [ 0, 1.8588101, 0 ], [ 0, 0, 1.9944885 ] ]

-17.631569

[ 0, 0, 0, 0, 0 ]

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

0.000164

4.679184

pbe

true

80ce58739b5d9ac4147b5703ff913a43_123_Ag1As2P1Se1

[ "As", "Au", "Br", "Cl" ]

5

A2BCD

As2AuBrCl

As2 Au1 Br1 Cl1

4

[ 1, 1, 1 ]

3

[ [ 5.10914238, 0, 0 ], [ 0, 5.10914238, 0 ], [ 0, 0, 5.24808343 ] ]

agm001672541

[ [ 0, 2.55457119, 0 ], [ 2.55457119, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 2.624041715 ], [ 2.55457119, 2.55457119, 2.624041715 ] ]

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

[ "As", "As", "Au", "Br", "Cl" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 0.91274196, 0, 0 ], [ 0, 0.91274196, 0 ], [ 0, 0, 0.87656254 ] ]

-12.92276

[ 0.215, 0.215, 0.031, 0.011, 0.038 ]

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

0.967307

5.317096

pbe

true

ca70f8dfdba56bd703ebc806694120d1_123_As2Au1Br1Cl1

[ "Br", "Nd", "Rh", "Th" ]

4

ABCD

BrNdRhTh

Nd1 Th1 Rh1 Br1

4

[ 1, 1, 1 ]

3

[ [ 4.14802715, -0.00036569, -0.00008856 ], [ -2.07341785, 3.59206654, 0.00007662 ], [ -2.07349393, -1.19655435, 7.96461012 ] ]

agm005197383

[ [ 0.39226683700083304, -0.2623279453577242, 5.356444850935587 ], [ -1.6817904489233038, 3.32892610130309, 0.4205915527425432 ], [ -1.6813085422837521, 0.9347158788714405, 7.007137939584951 ], [ 2.4656372945124843, 0.9359627123776499, 2.903388998414219 ] ]

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

[ "Nd", "Th", "Rh", "Br" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.0664735, -0.00633898, -0.00421493 ], [ -0.006339, 2.0694315, 0.00034319 ], [ -0.00421483, 0.00034318, 2.0165682 ] ]

-25.222326

[ 0, 0, 0, 0 ]

[ [ 0.0004222, -0.0008475, 0.00470641 ], [ 0.00033023, -0.00048274, -0.00506144 ], [ -0.00088352, 0.00194121, 0.00609796 ], [ 0.00013108, -0.00061097, -0.00574293 ] ]

-0.000011

3.060569

pbe

true

315b53403a7e21660c4f71c4606393af_160_Nd1Th1Rh1Br1

[ "Eu", "Ge", "Hg", "Pa" ]

4

ABCD

EuGeHgPa

Eu1 Pa1 Hg1 Ge1

4

[ 1, 1, 1 ]

3

[ [ 5.24589635, 0, 0 ], [ 2.62294817, 4.5430795, 0 ], [ 2.62294817, 1.51435983, 4.28325643 ] ]

agm001290706

[ [ 0, 0, 0 ], [ 2.6229481725, 1.5143598325, 1.0708141075 ], [ 5.245896345, 3.028719665, 2.141628215 ], [ 7.8688445174999995, 4.5430794975, 3.2124423225 ] ]

[{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Eu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Eu"]}]

[ "Eu", "Ge", "Pa", "Hg" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.1797898, 0, 0 ], [ 0, 2.1797898, 0 ], [ 0, 0, 2.1797898 ] ]

-25.302764

[ -6.831, 0.038, 0.622, 0.012 ]

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

-6.473007

5.245194

pbe

true

be02cbbf81287ae586c1c1abb5d72b4f_216_Eu1Pa1Hg1Ge1

[ "Mn", "P", "Re", "Ru" ]

4

ABCD

MnPReRu

Mn1 Re1 P1 Ru1

4

[ 1, 1, 1 ]

3

[ [ 4.19200967, 0, 0 ], [ 2.09600483, 3.63038687, 0 ], [ 2.09600483, 1.21012896, 3.42276156 ] ]

agm001912997

[ [ 4.1920096650000005, 2.420257915, 1.71138078 ], [ 2.0960048325000002, 1.2101289575, 0.85569039 ], [ 6.288014497500001, 3.6303868725, 2.56707117 ], [ 0, 0, 0 ] ]

[{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Re", "Mn", "P", "Ru" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 6.46279, 0, 0 ], [ 0, 6.46279, 0 ], [ 0, 0, 6.46279 ] ]

-36.78148

[ -0.225, 2.768, 0.066, 0.145 ]

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

2.886542

1.986361

pbe

true

2544d77eef2ef0083986b2ee2f364bf4_216_Mn1Re1P1Ru1

[ "Al", "Ga", "In", "Li" ]

4

ABCD

AlGaInLi

Li1 Al1 In1 Ga1

4

[ 1, 1, 1 ]

3

[ [ 4.76741735, 0, 0 ], [ 2.38370867, 4.12870454, 0 ], [ 2.38370867, 1.37623485, 3.89257997 ] ]

agm001361246

[ [ 4.767417345, 2.7524696950000003, 1.946289985 ], [ 0, 0, 0 ], [ 2.3837086725, 1.3762348475000001, 0.9731449925 ], [ 7.151126017499999, 4.1287045424999995, 2.9194349775 ] ]

[{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}]

[ "Li", "Al", "Ga", "In" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.3125477, 0, 0 ], [ 0, 2.3125477, 0 ], [ 0, 0, 2.3125477 ] ]

-11.737649

[ 0, 0, 0, 0 ]

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

-0.000002

1.12911

pbe

true

98d357c4c4fc152f418002856090d271_216_Li1Al1In1Ga1

[ "Co", "Dy", "Pr" ]

12

A9B2C

Co9Dy2Pr

Pr1 Dy2 Co9

3

[ 1, 1, 1 ]

3

[ [ 4.82019657, 9.9e-7, 1.43456288 ], [ 2.19662508, 4.29058609, 1.43456388 ], [ 0.06086868, 0.03722002, 8.61079047 ] ]

agm005946778

[ [ 0, 0, 0 ], [ 6.057684192988752, 3.7041020078671605, 6.091859212692477 ], [ 1.0200061370112479, 0.6237050921328389, 5.3880580173075225 ], [ 4.665712658338013, 2.852950733261723, 1.9536465396842237 ], [ 2.4119776716619876, 1.4748563667382768, 9.526270690315776 ], [ 3.538845165, 2.16390355, 5.739958615 ], [ 2.9340831104561897, 1.7941085962582752, 3.3190582488506513 ], [ 5.368939612108509, 1.7941090963432618, 4.04370810589934 ], [ 4.043678285685847, 3.9614395931216464, 4.043708611035689 ], [ 4.143607219543811, 2.5336985037417246, 8.160858981149348 ], [ 3.0340120443141525, 0.36636750687835307, 7.436208618964311 ], [ 1.708750717891491, 2.5336980036567383, 7.43620912410066 ] ]

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

[ "Pr", "Dy", "Dy", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co", "Co" ]

2023-11-16 06:57:59

[ 0.75, 0.16666666666666666, 0.08333333333333333 ]

[ [ 1.8905555, 0.01417392, -0.07788205 ], [ 0.01417392, 1.876042, -0.04762208 ], [ -0.07788205, -0.04762208, 2.1290612 ] ]

-79.460798

[ -0.211, -0.411, -0.411, 1.482, 1.482, 1.264, 1.287, 1.287, 1.287, 1.287, 1.287, 1.287 ]

[ [ 0, 0, 0 ], [ 0.00128144, 0.00078356, -0.00430568 ], [ -0.00128144, -0.00078356, 0.00430568 ], [ 0.00059186, 0.0003619, -0.00198866 ], [ -0.00059186, -0.0003619, 0.00198866 ], [ 0, 0, 0 ], [ -0.00063302, -0.00038707, 0.00517814 ], [ -0.0023014, -0.00038707, 0.00468161 ], [ -0.00139332, -0.00187214, 0.00468161 ], [ 0.00063302, 0.00038707, -0.00517814 ], [ 0.00139332, 0.00187214, -0.00468161 ], [ 0.0023014, 0.00038707, -0.00468161 ] ]

10.495356

16.971422

pbe

true

2776785391f53b9bf3b9bc02e5a4d17b_166_Pr1Dy2Co9

[ "Cr", "Ga", "Hf" ]

4

A2BC

CrGaHf2

Hf2 Cr1 Ga1

3

[ 1, 1, 1 ]

3

[ [ 3.3046232, 0, 0 ], [ 0, 3.3046232, 0 ], [ 0, 0, 6.41603072 ] ]

agm001137420

[ [ 1.6523116, 1.6523116, 0 ], [ 0, 0, 4.9155585918889475 ], [ 0, 0, 1.500472128111053 ], [ 1.6523116, 1.6523116, 3.20801536 ] ]

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

[ "Cr", "Hf", "Hf", "Ga" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 3.3209667, 0, 0 ], [ 0, 3.3209667, 0 ], [ 0, 0, 3.5395014 ] ]

-33.412855

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0.00473269 ], [ 0, 0, -0.00473269 ], [ 0, 0, 0 ] ]

-0.000236

2.795008

pbe

true

e2c360c2a30195b1ced18ef4dd5da637_123_Hf2Cr1Ga1

[ "Er", "Ho", "Nd" ]

11

A8B2C

Er2HoNd8

Nd8 Ho1 Er2

3

[ 1, 1, 1 ]

3

[ [ 5.47289446, 0.31424109, -0.1970292 ], [ -0.56706279, 8.10447184, -2.70145792 ], [ 0.27177151, 0.54369947, 8.54002342 ] ]

agm005865043

[ [ 5.11156324977728, 8.552407182925636, 3.163079354067744 ], [ 5.337544909916207, 6.5155318264247075, 6.191520607046494 ], [ 2.5402183028985306, 5.910023934082487, 3.785378382446514 ], [ 2.796128915742532, 2.6124763256730614, 5.5992266174312615 ], [ 2.3814742642574678, 6.349936074326939, 0.04230968256873836 ], [ 2.6373848771014696, 3.0523884659175144, 1.8561579175534864 ], [ -0.15994172991620628, 2.4468805735752928, -0.5499843070464928 ], [ 0.0660399302227207, 0.41000521707436555, 2.478456945932256 ], [ 2.73644723, 0.157120545, -0.0985146 ], [ 5.2252294308033695, 5.539844284640623, 1.3818623698919326 ], [ -0.047626250803369054, 3.4225681153593777, 4.259673930108068 ] ]

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

[ "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Ho", "Er", "Er" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.09090909090909091, 0.7272727272727273 ]

[ [ 1.2929657, 0.04042767, 0.02493348 ], [ 0.04042865, 1.1975782, -0.04682163 ], [ 0.02493415, -0.04682155, 1.2293488 ] ]

-50.104839

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

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17.703314

pbe

true

2a5c0522588e484884fd774e5b725c49_65_Nd8Ho1Er2

[ "Gd", "Hf", "I" ]

4

A2BC

Gd2HfI

Gd2 Hf1 I1

3

[ 1, 1, 1 ]

3

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agm002009507

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[ "I", "Gd", "Gd", "Hf" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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5.095095

pbe

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edc250e645d2dccc5b4c19df46d51cf5_166_Gd2Hf1I1

[ "La", "O", "Te" ]

6

ABC

LaOTe

La2 Te2 O2

3

[ 1, 1, 1 ]

3

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agm003611516

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[ "La", "La", "Te", "Te", "O", "O" ]

2023-11-16 06:57:59

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0

0.298122

pbe

true

177565145754e45e7cb218d00f3b53ae_12_La2Te2O2

[ "Ba", "Ca", "Si" ]

4

A2BC

BaCa2Si

Ba1 Ca2 Si1

3

[ 1, 1, 1 ]

3

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agm003864500

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[ "Ba", "Ca", "Ca", "Si" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

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1.837374

pbe

true

3fb5c9880612db1e50effbfbb6578cfb_119_Ba1Ca2Si1

[ "Cu", "Ge", "Te" ]

80

A12B5C3

Cu5Ge3Te12

Cu20 Ge12 Te48

3

[ 1, 1, 1 ]

3

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agm001817596

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

[ "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.25, 0.15, 0.6 ]

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-0.000318

82.436264

pbe

true

4e1126507943d11d62ec48003e58bbb9_230_Cu20Ge12Te48

[ "Ga", "Pa", "Pu" ]

6

A4BC

Ga4PaPu

Pu1 Pa1 Ga4

3

[ 1, 1, 1 ]

3

[ [ 4.66042228, 0, 0 ], [ -2.33021114, 4.03604409, 0 ], [ 0, 0, 6.35574437 ] ]

agm003748970

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

[ "Pu", "Pa", "Ga", "Ga", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.16666666666666666 ]

[ [ 3.3904133, 0, 0 ], [ 0, 3.3904133, 0 ], [ 0, 0, 2.8907492 ] ]

-38.063056

[ 5.191, 0.598, -0.014, -0.014, -0.014, -0.014 ]

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6.00942

8.967523

pbe

true

733d748a0d56b82440b3c34ec756275f_191_Pu1Pa1Ga4

[ "Fe", "Ho", "Mo", "N" ]

14

A10B2CD

Fe10HoMo2N

Ho1 Fe10 Mo2 N1

4

[ 1, 1, 1 ]

3

[ [ -2.37362772, 4.30512391, 4.33811766 ], [ 2.37362772, -4.30512391, 4.33811766 ], [ 2.37362772, 4.30512391, -4.33811766 ] ]

agm005235190

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

[ "Ho", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Fe", "Mo", "Mo", "N" ]

2023-11-16 06:57:59

[ 0.7142857142857143, 0.07142857142857142, 0.14285714285714285, 0.07142857142857142 ]

[ [ 1.1042411, 0, 0 ], [ 0, 1.5211493, 0 ], [ 0, 0, 1.2550073 ] ]

-120.824546

[ -0.249, 2.055, 2.055, 1.695, 1.695, 2.066, 2.066, 2.066, 2.066, 2.483, 2.483, -0.489, -0.489, 0.068 ]

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19.306707

12.839248

pbe

true

3cc6d9e6a1b5cd76c6f3009368220d49_71_Ho1Fe10Mo2N1

[ "Bi", "Ca", "Pt" ]

4

A2BC

Bi2CaPt

Ca1 Bi2 Pt1

3

[ 1, 1, 1 ]

3

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agm002657405

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[ "Ca", "Bi", "Bi", "Pt" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

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2.512588

pbe

true

d3bda8453545ec1f3d575cd3ae6e9d16_225_Ca1Bi2Pt1

[ "Dy", "In", "Pt" ]

11

A8B2C

Dy8In2Pt

Dy8 In2 Pt1

3

[ 1, 1, 1 ]

3

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agm003527096

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[ "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "In", "In", "Pt" ]

2023-11-16 06:57:59

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0.00002

10.486092

pbe

true

5d3ed5810a67e37006729c7ade7c52ea_12_Dy8In2Pt1

[ "Cl", "Tc" ]

3

A2B

ClTc2

Tc2 Cl1

2

[ 1, 1, 1 ]

3

[ [ -1.45888683, 1.45888683, 5.40965808 ], [ 1.45888683, -1.45888683, 5.40965808 ], [ 1.45888683, 1.45888683, -5.40965808 ] ]

agm005481986

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

[ "Tc", "Tc", "Cl" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.6666666666666666 ]

[ [ 2.7602768, 0, 0 ], [ 0, 2.7602768, 0 ], [ 0, 0, 3.0471082 ] ]

-21.859363

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1.741928

pbe

true

d3314bd8f5605d36fb66c2f39e0e0096_139_Tc2Cl1

[ "Al", "Cs", "F", "Tl" ]

11

A6B2C2D

AlCs2F6Tl2

Cs2 Al1 Tl2 F6

4

[ 1, 1, 1 ]

3

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agm004583230

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[{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Cs", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cs"]}]

[ "Cs", "Cs", "Al", "Tl", "Tl", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.09090909090909091, 0.18181818181818182, 0.5454545454545454, 0.18181818181818182 ]

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-49.524851

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0.72217

2.194255

pbe

true

05aa1d88f7c39949ee51884206b34b52_12_Cs2Al1Tl2F6

[ "In", "Li", "S" ]

16

A3B3C2

In3Li2S3

Li4 In6 S6

3

[ 1, 1, 1 ]

3

[ [ 6.33784889, -6e-8, 0 ], [ 9.5e-7, 7.51692706, 0 ], [ 0, 0, 20.41890469 ] ]

agm2000097913

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

[ "Li", "Li", "Li", "Li", "In", "In", "In", "In", "In", "In", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.375, 0.25, 0.375 ]

[ [ 0.6043222, 8e-8, 0 ], [ 8e-8, 0.6866887, 0 ], [ 0, 0, -0.2480068 ] ]

-56.74547

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0

4.310754

pbe

true

8d3b71a936a0b3af811c129daf2d4940_26_Li4In6S6

[ "Br", "Rb", "S", "Sm" ]

4

ABCD

BrRbSSm

Rb1 Sm1 S1 Br1

4

[ 1, 1, 1 ]

3

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agm005197082

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

[ "Rb", "Sm", "S", "Br" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 0.10573474, -0.01146344, 0.01667814 ], [ -0.01146346, 0.08654528, 0.00407284 ], [ 0.01667811, 0.0040728, 0.20570415 ] ]

-17.677074

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0.000069

2.356687

pbe

true

8c410398ba810bb30e4e6725a9c201a1_160_Rb1Sm1S1Br1

[ "Ce", "P", "Pd", "Sn" ]

10

A4B3C2D

Ce2P3Pd4Sn

Ce2 Sn1 P3 Pd4

4

[ 1, 1, 1 ]

3

[ [ 4.15949411, 0, 0 ], [ 0, 4.15949411, 0 ], [ 0, 0, 10.82654707 ] ]

agm004527672

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

[ "Ce", "Ce", "Sn", "P", "P", "P", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.2, 0.3, 0.4, 0.1 ]

[ [ 4.4011545, 0, 0 ], [ 0, 4.4011545, 0 ], [ 0, 0, 4.571061 ] ]

-61.33055

[ 0.541, 0.541, 0, -0.003, -0.007, -0.007, -0.007, -0.008, -0.009, -0.009 ]

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1.103794

13.543018

pbe

true

f6e5b95af5291e62c0271a9e2c3f2a01_115_Ce2Sn1P3Pd4

[ "Cl", "Cs", "Li", "Tl" ]

12

A8B2CD

Cl8CsLiTl2

Cs1 Li1 Tl2 Cl8

4

[ 1, 1, 1 ]

3

[ [ 6.63629124, 0, 0 ], [ 3.31814562, 5.7471968, 0 ], [ 3.31814562, 1.91573227, 10.33597467 ] ]

agm004898149

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

[ "Cs", "Li", "Tl", "Tl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.08333333333333333, 0.08333333333333333, 0.16666666666666666 ]

[ [ 0.48308098, 0, 0 ], [ 0, 0.48308098, 0 ], [ 0, 0, 0.6186428 ] ]

-35.146157

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0

pbe

true

6f06d31c30b1aea3c712b851c55a1b52_155_Cs1Li1Tl2Cl8

[ "Er", "P", "Pa", "Th" ]

8

A4B2CD

ErP4Pa2Th

Er1 Th1 Pa2 P4

4

[ 1, 1, 1 ]

3

[ [ 4.01650681, -0.00000202, -0.00000127 ], [ 0.00004214, 6.93995715, -0.13112222 ], [ 0.0000377, 2.44894961, 6.50905578 ] ]

agm004846675

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

[ "Er", "Th", "Pa", "Pa", "P", "P", "P", "P" ]

2023-11-16 06:57:59

[ 0.125, 0.5, 0.25, 0.125 ]

[ [ 0.33557212, 0.00000181, 9.6e-7 ], [ 0.00000181, 0.33057183, -0.01370875 ], [ 9.6e-7, -0.01373408, 0.3297717 ] ]

-64.049466

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 1e-8, 0.00175501, -0.00002291 ], [ -1e-8, -0.00175501, 0.00002291 ], [ 1e-8, 0.00228526, -0.00178263 ], [ -1e-8, -0.00228526, 0.00178263 ] ]

-0.000298

7.014691

pbe

true

422ab9b6168c20092d1c1b46b01e975f_10_Er1Th1Pa2P4

[ "Al", "Pd", "Sc" ]

8

A2BC

AlPd2Sc

Sc2 Al2 Pd4

3

[ 1, 1, 1 ]

3

[ [ 7.03937271, 0, 0 ], [ 0, 7.03937271, 0 ], [ 3.51968635, 3.51968635, 2.89572005 ] ]

agm002791125

[ [ 0, 0, 0 ], [ 7.0393727075, 3.5196863525, 1.447860025 ], [ 3.519686355, 3.519686355, 0 ], [ 3.5196863525, 7.0393727075, 1.447860025 ], [ 5.081944335189548, 1.75984317625, 0.7239300125 ], [ 1.957428372310452, 5.279529531250001, 0.7239300125 ], [ 5.27952952875, 5.477114724810452, 2.1717900375 ], [ 8.79921588375, 8.601630687689548, 2.1717900375 ] ]

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

[ "Sc", "Sc", "Al", "Al", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.4526744, 0, 0 ], [ 0, 5.4526744, 0 ], [ 0, 0, 3.3201053 ] ]

-45.151935

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.01413291, 0, 0 ], [ 0.01413291, 0, 0 ], [ 0, 0.01413291, 0 ], [ 0, -0.01413291, 0 ] ]

0

3.732781

pbe

true

83048ef9099369b839d2ea49e3f0ff84_122_Sc2Al2Pd4

[ "As", "Ca", "Cd" ]

5

A3BC

AsCaCd3

Ca1 Cd3 As1

3

[ 1, 1, 1 ]

3

[ [ 5.90385016, 0, 0 ], [ 0, 5.90385016, 0 ], [ 0, 0, 5.90385016 ] ]

agm002439563

[ [ 2.95192508, 2.95192508, 2.95192508 ], [ 0, 0, 0 ], [ 0, 2.95192508, 0 ], [ 0, 0, 2.95192508 ], [ 2.95192508, 0, 0 ] ]

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

[ "As", "Ca", "Cd", "Cd", "Cd" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 2.5754929, 0, 0 ], [ 0, 2.5754929, 0 ], [ 0, 0, 2.5754929 ] ]

-5.210857

[ 0.686, -0.055, 0.003, -0.013, 0.007 ]

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

1.242706

5.094744

pbe

true

7953570d213c6f2f8963f80062fc00e6_221_Ca1Cd3As1

[ "Au", "Co", "Pb" ]

7

A4B2C

AuCo2Pb4

Co2 Pb4 Au1

3

[ 1, 1, 1 ]

3

[ [ 5.4748375, 0, 0 ], [ 0, 5.4748375, 0 ], [ 2.73741875, 2.73741875, 6.45480255 ] ]

agm001069764

[ [ 5.4748375, 5.4748375, 2.8244076837234933 ], [ 2.73741875, 2.73741875, 3.630394866276507 ], [ 0, 2.73741875, 0 ], [ 2.73741875, 0, 0 ], [ 5.474837472625811, 5.474837472625811, 5.3645947260002895 ], [ 2.7374187773741876, 2.7374187773741876, 1.0902078239997106 ], [ 0, 0, 0 ] ]

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

[ "Pb", "Pb", "Pb", "Pb", "Co", "Co", "Au" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.2857142857142857, 0.5714285714285714 ]

[ [ 5.208512, 0, 0 ], [ 0, 5.208512, 0 ], [ 0, 0, 5.1558824 ] ]

-28.148298

[ -0.041, -0.041, -0.036, -0.036, 1.301, 1.301, -0.019 ]

[ [ 0, 0, -0.00014545 ], [ 0, 0, 0.00014545 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00404936 ], [ 0, 0, -0.00404936 ], [ 0, 0, 0 ] ]

2.152755

9.252152

pbe

true

3aa8e3ef77b43560b5cb847185bbea60_139_Co2Pb4Au1

[ "Mo", "Tc", "Th" ]

4

A2BC

MoTc2Th

Th1 Tc2 Mo1

3

[ 1, 1, 1 ]

3

[ [ 3.18356349, 0, 0 ], [ 0, 3.18356349, 0 ], [ 0, 0, 7.33875679 ] ]

agm001150812

[ [ 1.591781745, 1.591781745, 0 ], [ 0, 0, 5.851439499134613 ], [ 0, 0, 1.4873172908653869 ], [ 1.591781745, 1.591781745, 3.669378395 ] ]

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

[ "Mo", "Tc", "Tc", "Th" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 5.906428, 0, 0 ], [ 0, 5.906428, 0 ], [ 0, 0, 5.2786074 ] ]

-38.456949

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, -0.01034098 ], [ 0, 0, 0.01034098 ], [ 0, 0, 0 ] ]

0.000053

6.024215

pbe

true

6c38bb1695d8a927f1a22fed56bbd3c0_123_Th1Tc2Mo1

[ "Bi", "Co", "Fe" ]

5

A3BC

BiCo3Fe

Fe1 Co3 Bi1

3

[ 1, 1, 1 ]

3

[ [ 4.71881382, 0, 0 ], [ 0, 4.71881382, 0 ], [ 0, 0, 4.71881382 ] ]

agm002476543

[ [ 0, 2.35940691, 0 ], [ 0, 0, 2.35940691 ], [ 2.35940691, 0, 0 ], [ 0, 0, 0 ], [ 2.35940691, 2.35940691, 2.35940691 ] ]

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

[ "Co", "Co", "Co", "Bi", "Fe" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 7.673779, 0, 0 ], [ 0, 7.673779, 0 ], [ 0, 0, 7.673779 ] ]

-24.662948

[ 1.417, 1.615, 1.621, 0.004, 3.402 ]

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

7.97577

3.908333

pbe

true

d98b88326d7cc2d6430488928c8355a7_221_Fe1Co3Bi1

[ "Be", "Cu" ]

3

A2B

Be2Cu

Be2 Cu1

2

[ 1, 1, 1 ]

3

[ [ 2.41969309, 0, 0 ], [ -1.20984654, 2.09551568, 0 ], [ 0, 0, 5.67665812 ] ]

agm004072283

[ [ -8.765132178658383e-9, 1.3970104603183857, 3.743346232190317 ], [ 1.2098465587651324, 0.6985052196816144, 1.9333118878096827 ], [ 0, 0, 0 ] ]

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

[ "Be", "Be", "Cu" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ -6.187106, 0, 0 ], [ 0, -6.187106, 0 ], [ 0, 0, -4.648102 ] ]

-11.338694

[ 0, 0, 0 ]

[ [ 0, 0, -0.00888095 ], [ 0, 0, 0.00888095 ], [ 0, 0, 0 ] ]

-0

0.969203

pbe

true

8bdc24a08ab74aa708230d0aa41f1ad0_164_Be2Cu1

[ "Ga", "Sb", "Zr" ]

6

A3B2C

GaSb3Zr2

Ga1 Sb3 Zr2

3

[ 1, 1, 1 ]

3

[ [ 3.945936545, 0, 0 ], [ 0, 3.945936545, 0 ], [ 0, 0, 8.782022879 ] ]

oqmd-7775126

[ [ 1.97297, 1.97297, 0 ], [ 0, 0, 0 ], [ 1.97297, 0, 3.3858 ], [ 0, 1.97297, 5.39622 ], [ 0, 1.97297, 2.2839400000000003 ], [ 1.97297, 0, 6.49808 ] ]

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

[ "Ga", "Sb", "Sb", "Sb", "Zr", "Zr" ]

2024-11-01 00:00:00

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 2.5533724, 0, 0 ], [ 0, 2.5533724, 0 ], [ 0, 0, 3.57238163 ] ]

-35.9846

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.023188 ], [ 0, 0, 0.023188 ], [ 0, 0, 0.01007 ], [ 0, 0, -0.01007 ] ]

-0.002034

null

pbe

true

569ea6f3c6e2ee833c7c27d8d71447e1_115_Zr2Ga1Sb3

[ "Ag", "Pm", "Se", "U" ]

15

A8B3C3D

Ag3Pm3Se8U

Pm3 U1 Ag3 Se8

4

[ 1, 1, 1 ]

3

[ [ 8.54453141, 0, 0 ], [ -4.27226571, 7.39767003, -0.02859798 ], [ 0, -4.92191364, 6.38743518 ] ]

agm004688152

[ [ 4.272265705, -2.46095682, 3.19371759 ], [ 2.1361328499999996, 1.237878195, 3.1794186 ], [ -2.136132855, 1.237878195, 3.1794186 ], [ 0, -2.46095682, 3.19371759 ], [ 0, 0, 0 ], [ -2.136132855, 3.698835015, -0.01429899 ], [ 2.1361328499999996, 3.698835015, -0.01429899 ], [ 4.024055238848326e-8, 2.4648201765338578, 1.5528912180392238 ], [ 4.272265659759447, 0.01093621346614206, 4.805945981960776 ], [ 4.272261472896287, 2.5328409907990856, 1.6150066915644967 ], [ 0.000004227103711775457, -0.05708460079908558, 4.7438305084355035 ], [ 2.1949797616141713, 6.129775549956973, 1.6008677813305048 ], [ 2.077285938385828, -3.654019159956973, 4.757969418669495 ], [ -2.194979771597508, 6.129775549956973, 1.6008677813305048 ], [ 6.467245471597508, -3.654019159956973, 4.757969418669495 ] ]

[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Ag", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ag"]}]

[ "Pm", "Pm", "Pm", "U", "Ag", "Ag", "Ag", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.5333333333333333, 0.06666666666666667 ]

[ [ 1.2828435, 0, 0 ], [ 0, 1.3441763, 0.08021264 ], [ 0, 0.08021139, 1.3273034 ] ]

-79.233473

[ 0.016, 0.016, 0.016, 2.061, -0.005, -0.005, -0.005, 0, 0, -0.032, -0.032, -0.032, -0.032, -0.032, -0.032 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00060196, -0.00380172 ], [ 0, -0.00060196, 0.00380172 ], [ 0, 0.00278214, 0.00275753 ], [ 0, -0.00278214, -0.00275753 ], [ 0.00145125, 0.00008161, 0.00252992 ], [ -0.00145125, -0.00008161, -0.00252992 ], [ -0.00145125, 0.00008161, 0.00252992 ], [ 0.00145125, -0.00008161, -0.00252992 ] ]

2.000002

5.56801

pbe

true

e0e6d290a2eb04dae684f0685ab8434f_12_Pm3U1Ag3Se8

[ "As", "F", "O", "V" ]

5

A2BCD

AsF2OV

V1 As1 O1 F2

4

[ 1, 1, 1 ]

3

[ [ 4.13112021, 0, 0 ], [ 0, 4.13112021, 0 ], [ 0, 0, 3.85960491 ] ]

agm001701732

[ [ 2.065560105, 2.065560105, 1.929802455 ], [ 0, 2.065560105, 0 ], [ 2.065560105, 0, 0 ], [ 0, 0, 1.929802455 ], [ 0, 0, 0 ] ]

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

[ "As", "F", "F", "O", "V" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 2.923973, 0, 0 ], [ 0, 2.923973, 0 ], [ 0, 0, 2.969033 ] ]

-27.18914

[ -0.278, -0.028, -0.028, 0.196, -2.105 ]

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

-2.630574

3.112345

pbe

true

6e1051b197ff672a1c9787889aa0064b_123_V1As1O1F2

[ "Br", "Co", "Cu", "Tl" ]

20

A6B2CD

Br6CoCu2Tl

Tl2 Co2 Cu4 Br12

4

[ 1, 1, 1 ]

3

[ [ 8.0802448, 0.23346393, 0.24228285 ], [ 2.87992729, 9.0317583, 0.33533765 ], [ 2.87992729, 0.00037865, 9.03798148 ] ]

agm004976851

[ [ 4.899988489999999, 7.357203204920824, 2.0657523407310974 ], [ 8.94011089, 1.9083976750791771, 7.549849639268902 ], [ 4.899988489999999, 1.664465230302275, 7.551278686710893 ], [ 8.940110889999998, 7.601135649697724, 2.064323293289105 ], [ 6.63367117839717, 6.782111461909967, 6.123399053264922 ], [ 3.1663058016028285, 3.281030477001907, 2.4900673680777548 ], [ 7.206428201602828, 2.483489418090033, 3.4922029267350765 ], [ 10.673793578397172, 5.984570402998092, 7.1255346119222445 ], [ 6.510959448800917, 8.699452023780264, 7.751302928243502 ], [ 3.2890175311990824, 1.725304098472698, 0.5137118098069328 ], [ 7.329139931199082, 0.5661488562197362, 1.864299051756497 ], [ 10.551081848800916, 7.540296781527302, 9.101890170193066 ], [ 7.504912986914007, 7.732371985058295, 3.9378968564799055 ], [ 2.2950639930859915, 5.500249101759316, 1.6214572121796993 ], [ 6.3351863930859915, 1.5332288949417041, 5.677705123520093 ], [ 11.545035386914007, 3.765351778240684, 7.994144767820299 ], [ 4.307080587741538, 6.6397837968325675, 5.468756303410831 ], [ 5.49289639225846, 3.9299486375658157, 2.65655915753209 ], [ 9.53301879225846, 2.625817083167432, 4.146845676589168 ], [ 8.34720298774154, 5.3356522424341835, 6.959042822467908 ] ]

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

[ "Tl", "Tl", "Co", "Co", "Cu", "Cu", "Cu", "Cu", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.6, 0.1, 0.2, 0.1 ]

[ [ -0.79777825, 0.04570745, 0.04743402 ], [ 0.04570717, -0.66324675, 0.01422203 ], [ 0.04743372, 0.01422203, -0.66219187 ] ]

-63.152689

[ 0.018, 0.018, 2.401, 2.401, 0.216, 0.216, 0.216, 0.216, 0.161, 0.161, 0.161, 0.161, 0.15, 0.15, 0.15, 0.15, 0.055, 0.055, 0.055, 0.055 ]

[ [ 0, -0.00267359, 0.00257627 ], [ 0, 0.00267359, -0.00257627 ], [ 0, 0.00134825, -0.00129917 ], [ 0, -0.00134825, 0.00129917 ], [ -0.00085128, 0.01640841, 0.00054377 ], [ 0.00085128, 0.00006472, -0.01641729 ], [ 0.00085128, -0.01640841, -0.00054377 ], [ -0.00085128, -0.00006472, 0.01641729 ], [ -0.00122224, 0.00142519, 0.00128129 ], [ 0.00122224, -0.00122759, -0.0014717 ], [ 0.00122224, -0.00142519, -0.00128129 ], [ -0.00122224, 0.00122759, 0.0014717 ], [ -0.00024821, 0.00174547, 0.00002478 ], [ 0.00024821, 0.00003993, -0.00174519 ], [ 0.00024821, -0.00174547, -0.00002478 ], [ -0.00024821, -0.00003993, 0.00174519 ], [ 0.00306971, 0.00132935, -0.00014212 ], [ -0.00306971, 0.00019129, -0.00132317 ], [ -0.00306971, -0.00132935, 0.00014212 ], [ 0.00306971, -0.00019129, 0.00132317 ] ]

7.843963

19.738953

pbe

true

e148dcec4649ff9a964ec9d0b46e8ec4_15_Tl2Co2Cu4Br12

[ "Ca", "N", "Nb", "Pu" ]

8

A4B2CD

Ca2N4NbPu

Ca2 Pu1 Nb1 N4

4

[ 1, 1, 1 ]

3

[ [ 3.34881189, 0, 0 ], [ 0, 5.79430682, 0.11637768 ], [ 0, -2.00109035, 5.5625017 ] ]

agm004842226

[ [ 1.674405945, -1.000545175, 2.78125085 ], [ 0, 1.896608235, 2.8394396900000003 ], [ 1.674405945, 2.89715341, 0.05818884 ], [ 0, 0, 0 ], [ 1.674405945, 0.8995896742606145, 1.219211195651521 ], [ 1.674405945, 2.8936267957393857, 4.459668184348479 ], [ 0, -0.15109045172343438, 4.40199812754508 ], [ 0, 3.9443069217234346, 1.2768812524549196 ] ]

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

[ "Ca", "Ca", "Pu", "Nb", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.125, 0.125 ]

[ [ 0.51839817, 0, 0 ], [ 0, 0.5376493, -0.01389377 ], [ 0, -0.01389373, 0.42945874 ] ]

-71.080352

[ 0.016, 0.039, 4.298, 0.271, -0.057, -0.057, -0.109, -0.109 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00150402, 0.00151247 ], [ 0, -0.00150402, -0.00151247 ], [ 0, -0.00011248, -0.00232932 ], [ 0, 0.00011248, 0.00232932 ] ]

4.469473

6.628714

pbe

true

8d5780ce75e5c5854ba80f78aa55b307_10_Ca2Pu1Nb1N4

[ "Cr", "Ru" ]

6

A2B

Cr2Ru

Cr4 Ru2

2

[ 1, 1, 1 ]

3

[ [ 2.08413585, -3.60982919, 0 ], [ 2.08413585, 3.60982919, 0 ], [ 0, 0, 5.0812994 ] ]

agm005449230

[ [ 0, 0, 0 ], [ 0, 0, 2.5406497 ], [ 2.08413585, 1.2032764207321947, 1.27032485 ], [ 2.08413585, -1.2032764207321947, 3.81097455 ], [ 2.08413585, 1.2032764207321947, 3.81097455 ], [ 2.08413585, -1.2032764207321947, 1.27032485 ] ]

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

[ "Cr", "Cr", "Cr", "Cr", "Ru", "Ru" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 4.9391546, 0, 0 ], [ 0, 4.9391546, 0 ], [ 0, 0, 5.064463 ] ]

-55.459832

[ 0.004, 0.004, -0.002, -0.002, 0, 0 ]

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

0.005533

10.040526

pbe

true

9d4a967c57ff6d71f6bce5c0b9155141_194_Cr4Ru2

[ "Bi", "Na", "Pb", "Sm" ]

4

ABCD

BiNaPbSm

Na1 Sm1 Bi1 Pb1

4

[ 1, 1, 1 ]

3

[ [ 5.52744378, 0, 0 ], [ 2.76372189, 4.78690674, 0 ], [ 2.76372189, 1.59563558, 4.51313895 ] ]

agm001387600

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[{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}]

[ "Pb", "Na", "Bi", "Sm" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.8101863, 0, 0 ], [ 0, 1.8101863, 0 ], [ 0, 0, 1.8101863 ] ]

-14.945989

[ 0, 0, 0, 0 ]

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

-0.000291

3.892784

pbe

true

0a9030254f53a20d81c327c547fd1fba_216_Na1Sm1Bi1Pb1

[ "Mg", "Si", "Zn" ]

4

A2BC

MgSiZn2

Mg1 Zn2 Si1

3

[ 1, 1, 1 ]

3

[ [ 4.58260469, 0, 0 ], [ 2.29130235, 3.96865208, 0 ], [ 2.29130235, 1.32288403, 3.74168106 ] ]

agm004131371

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

[ "Mg", "Si", "Zn", "Zn" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 2.5289211, 0, 0 ], [ 0, 2.5289211, 0 ], [ 0, 0, 2.5289211 ] ]

-8.94358

[ 0, 0, 0, 0 ]

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

-0.000011

1.608178

pbe

true

b356393d05798fb861cc775d931da4a2_216_Mg1Zn2Si1

[ "Co", "Ge", "O", "Sr" ]

14

A4BCD

CoGeO4Sr

Sr2 Co2 Ge2 O8

4

[ 1, 1, 1 ]

3

[ [ 5.46816067, 0, 0.17667331 ], [ 0, 5.6805495, 0 ], [ -1.91509579, 0, 6.30899295 ] ]

agm005048544

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

[ "Sr", "Sr", "Co", "Co", "Ge", "Ge", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]

[ [ 0.6525188, 0, 0.01777244 ], [ 0, 0.6721976, 0 ], [ 0.01777245, 0, 0.6300103 ] ]

-88.073634

[ 0.004, 0.004, 2.678, 2.678, 0.003, 0.003, 0.07, 0.07, 0.07, 0.07, 0.014, 0.014, 0.042, 0.042 ]

[ [ -0.00393999, 0, -0.00112007 ], [ 0.00393999, 0, 0.00112007 ], [ 0.00035288, 0, 0.00024174 ], [ -0.00035288, 0, -0.00024174 ], [ 0.00177044, 0, -0.00545009 ], [ -0.00177044, 0, 0.00545009 ], [ 0.00015769, 0.00257022, -0.00186451 ], [ -0.00015769, 0.00257022, 0.00186451 ], [ -0.00015769, -0.00257022, 0.00186451 ], [ 0.00015769, -0.00257022, -0.00186451 ], [ -0.00101527, 0, -0.00408573 ], [ 0.00101527, 0, 0.00408573 ], [ 0.00030802, 0, 0.00356087 ], [ -0.00030802, 0, -0.00356087 ] ]

5.937977

0

pbe

true

4d361ee1b74460774ca2d2aa747028ab_11_Sr2Co2Ge2O8

[ "O", "P", "Pb", "Sb" ]

5

A2BCD

OP2PbSb

Sb1 P2 Pb1 O1

4

[ 1, 1, 1 ]

3

[ [ 5.17378531, 0, 0 ], [ 0, 3.99746545, 0 ], [ 0, 0, 5.17378531 ] ]

agm001480679

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[{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "P", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["P"]}]

[ "Pb", "Sb", "O", "P", "P" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ -1.1620537, 0, 0 ], [ 0, 1.2877768, 0 ], [ 0, 0, -1.1620537 ] ]

-22.731856

[ 0, 0, 0, 0, 0 ]

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

-0

2.711932

pbe

true

6494fa23416f630ed5189447055e269b_123_Sb1P2Pb1O1

[ "Al", "Ba", "H", "O", "P" ]

22

A14B3C2D2E

Al3BaH2O14P2

Ba1 Al3 P2 H2 O14

5

[ 1, 1, 1 ]

3

[ [ 3.24811915, 6.44069973, -0.13363575 ], [ -3.24811915, 6.44069973, -0.13363575 ], [ 0, 3.94582856, 6.37528999 ] ]

agm005282762

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

[ "Ba", "Al", "Al", "Al", "P", "P", "H", "H", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.13636363636363635, 0.045454545454545456, 0.09090909090909091, 0.6363636363636364, 0.09090909090909091 ]

[ [ 0.6359932, 0, 0 ], [ 0, 0.77457476, -0.1521716 ], [ 0, -0.1521716, 0.83660346 ] ]

-145.823369

[ 0, -0.001, -0.001, -0.001, -0.009, -0.009, 0, 0, 0.164, 0.164, 0.044, 0.044, 0.115, 0.115, 0.115, 0.115, 0.014, 0.014, 0.017, 0.017, 0.017, 0.017 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00223677, 0.00312578 ], [ 0, 0.00223677, -0.00312578 ], [ 0, -0.00077985, -0.00112765 ], [ 0, 0.00077985, 0.00112765 ], [ 0, -0.00056708, -0.00324101 ], [ 0, 0.00056708, 0.00324101 ], [ 0, -0.00053697, 0.00006866 ], [ 0, 0.00053697, -0.00006866 ], [ 0.00267425, -0.00115152, -0.00110692 ], [ -0.00267425, -0.00115152, -0.00110692 ], [ 0.00267425, 0.00115152, 0.00110692 ], [ -0.00267425, 0.00115152, 0.00110692 ], [ 0, 0.00165148, 0.0015852 ], [ 0, -0.00165148, -0.0015852 ], [ -0.00272632, -0.00164464, -0.00003343 ], [ 0.00272632, -0.00164464, -0.00003343 ], [ -0.00272632, 0.00164464, 0.00003343 ], [ 0.00272632, 0.00164464, 0.00003343 ] ]

1.136332

11.473579

pbe

true

f62a4cab11c6b89a0f1df6b4a1b1b6f3_12_Ba1Al3P2H2O14

[ "As", "Au" ]

4

A3B

As3Au

As3 Au1

2

[ 1, 1, 1 ]

3

[ [ 4.89830833, -0.23672629, 0.24602114 ], [ -0.20674348, 4.89976408, 0.24603172 ], [ -2.19244386, -2.1791118, 3.09757364 ] ]

agm004222339

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

[ "As", "As", "As", "Au" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 1.1671607, 0.03793546, -0.10127124 ], [ 0.03793546, 1.1667435, -0.10065285 ], [ -0.10128912, -0.10067061, 1.0496509 ] ]

-15.716923

[ 0, 0, 0, 0 ]

[ [ -0.00148622, 0.00149538, 0 ], [ 0, 0, 0 ], [ 0.00148622, -0.00149538, 0 ], [ 0, 0, 0 ] ]

-0

1.438886

pbe

true

988c7304b8d6f83697f1b221a040f814_12_As3Au1

[ "Ni", "Sn", "Tb" ]

16

A2BC

Ni2SnTb

Tb4 Ni8 Sn4

3

[ 1, 1, 1 ]

3

[ [ 6.13654448, 0, 0 ], [ 0, 6.69662683, 0 ], [ 0, 0, 7.19997579 ] ]

agm005601196

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

[ "Tb", "Tb", "Tb", "Tb", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Sn", "Sn", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ -4.563221, 0, 0 ], [ 0, -4.954153, 0 ], [ 0, 0, -4.307749 ] ]

-88.421374

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

[ [ -0.00127451, 0, 0.00351732 ], [ -0.00127451, 0, -0.00351732 ], [ 0.00127451, 0, -0.00351732 ], [ 0.00127451, 0, 0.00351732 ], [ 0.00634748, 0.00305163, -0.00452684 ], [ 0.00634748, -0.00305163, 0.00452684 ], [ -0.00634748, 0.00305163, 0.00452684 ], [ -0.00634748, -0.00305163, -0.00452684 ], [ -0.00634748, -0.00305163, 0.00452684 ], [ -0.00634748, 0.00305163, -0.00452684 ], [ 0.00634748, -0.00305163, -0.00452684 ], [ 0.00634748, 0.00305163, 0.00452684 ], [ 0.0011233, 0, -0.0005079 ], [ 0.0011233, 0, 0.0005079 ], [ -0.0011233, 0, 0.0005079 ], [ -0.0011233, 0, -0.0005079 ] ]

-0

7.788315

pbe

true

b43d6794b19bfacc008ce7f3de99c156_62_Tb4Ni8Sn4

[ "Pa", "Pd", "Tm" ]

8

A6BC

PaPd6Tm

Tm1 Pa1 Pd6

3

[ 1, 1, 1 ]

3

[ [ 4.12226381, 0, 0 ], [ 0, 4.12226381, 0 ], [ 0, 0, 8.22876899 ] ]

agm005773100

[ [ 0, 0, 0 ], [ 0, 0, 4.114384495 ], [ 2.061131905, 2.061131905, 0 ], [ 2.061131905, 2.061131905, 4.114384495 ], [ 2.061131905, 0, 2.086240624911599 ], [ 2.061131905, 0, 6.142528365088402 ], [ 0, 2.061131905, 2.086240624911599 ], [ 0, 2.061131905, 6.142528365088402 ] ]

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

[ "Tm", "Pa", "Pd", "Pd", "Pd", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.125, 0.75, 0.125 ]

[ [ 4.771427, 0, 0 ], [ 0, 4.771427, 0 ], [ 0, 0, 4.4051013 ] ]

-52.294584

[ -0.002, 0.221, -0.001, -0.007, -0.002, -0.002, -0.002, -0.002 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00669254 ], [ 0, 0, -0.00669254 ], [ 0, 0, 0.00669254 ], [ 0, 0, -0.00669254 ] ]

0.21

2.265479

pbe

true

676c492434932f4c0c5dab7c70949171_123_Tm1Pa1Pd6

[ "Co", "La", "Pb" ]

11

A5B4C2

Co2La4Pb5

La4 Co2 Pb5

3

[ 1, 1, 1 ]

3

[ [ 3.72191513, 0, 0 ], [ 0, 8.41494065, -0.26746492 ], [ 0, -1.06045826, 9.93183387 ] ]

agm002333315

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

[ "Pb", "Pb", "Pb", "Pb", "Pb", "Co", "Co", "La", "La", "La", "La" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.36363636363636365, 0.45454545454545453 ]

[ [ 3.5344417, 0, 0 ], [ 0, 3.9217563, -0.23568134 ], [ 0, -0.23568052, 3.9302619 ] ]

-56.346921

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

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-0

5.675851

pbe

true

66bf4567f5d9b73cad3840ff13530366_10_La4Co2Pb5

[ "Na", "Se", "Sm", "Y" ]

8

A4B2CD

NaSe4SmY2

Na1 Sm1 Y2 Se4

4

[ 1, 1, 1 ]

3

[ [ 4.10359689, -0.0000123, -0.00000736 ], [ 0.0000205, 7.19155578, -0.18378362 ], [ 0.00001793, 2.50598266, 6.72507698 ] ]

agm004815626

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[{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Na", "Sm", "Y", "Y", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.125, 0.5, 0.125, 0.25 ]

[ [ 0.39701867, -1.5e-7, -8e-8 ], [ -1.5e-7, 0.34019873, 0.03800495 ], [ -8e-8, 0.03800652, 0.32577583 ] ]

-46.946702

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

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-0.000004

2.750622

pbe

true

66058e89e3cc0ab4c46d490065b19555_10_Na1Sm1Y2Se4

[ "Cr", "O", "W" ]

4

A2BC

CrO2W

Cr1 W1 O2

3

[ 1, 1, 1 ]

3

[ [ 0, 2.77375437, 2.77375437 ], [ 2.77375437, 0, 2.77375437 ], [ 2.77375437, 2.77375437, 0 ] ]

agm002717987

[ [ 0, 0, 0 ], [ 1.386877185, 1.386877185, 1.386877185 ], [ 4.160631555, 4.160631555, 4.160631555 ], [ 2.77375437, 2.77375437, 2.77375437 ] ]

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

[ "Cr", "O", "O", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.60504913, 0, 0 ], [ 0, 0.60504913, 0 ], [ 0, 0, 0.60504913 ] ]

-26.509513

[ 4.091, 0.054, 0.054, -0.489 ]

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

3.987336

1.318649

pbe

true

ac0cd9f4e92595e2d73ca038fe4c3716_225_Cr1W1O2

[ "K", "O", "Ti" ]

20

A3BC

KO3Ti

K4 Ti4 O12

3

[ 1, 1, 1 ]

3

[ [ 6.52151288, 0, 0 ], [ 0, 3.92699871, 0 ], [ 0, 0, 11.27216099 ] ]

agm002171652

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

[ "K", "K", "K", "K", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "Ti", "Ti", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.7478781, 0, 0 ], [ 0, 0.5544407, 0 ], [ 0, 0, 0.7205549 ] ]

-139.448148

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0.738719

10.994784

pbe

true

5b93802976db062088c2bbed8067d79a_57_K4Ti4O12

[ "As", "F", "Ir", "Pm" ]

8

ABCD

AsFIrPm

Pm2 As2 Ir2 F2

4

[ 1, 1, 1 ]

3

[ [ 4.0492022, 0, 0 ], [ 0, 4.0492022, 0 ], [ 0, 0, 8.40194972 ] ]

agm005203194

[ [ 2.0246011, 0, 5.783715243866729 ], [ 0, 2.0246011, 2.61823447613327 ], [ 0, 2.0246011, 6.912470894005772 ], [ 2.0246011, 0, 1.489478825994227 ], [ 2.0246011, 2.0246011, 0 ], [ 0, 0, 0 ], [ 0, 0, 4.20097486 ], [ 2.0246011, 2.0246011, 4.20097486 ] ]

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

[ "Pm", "Pm", "As", "As", "Ir", "Ir", "F", "F" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 0.64302784, 0, 0 ], [ 0, 0.64302784, 0 ], [ 0, 0, 0.7154236 ] ]

-55.11314

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

[ [ 0, 0, -0.00349965 ], [ 0, 0, 0.00349965 ], [ 0, 0, 0.00445919 ], [ 0, 0, -0.00445919 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

2.874527

pbe

true

932805ed8ea60b3162c69e1b65c13a06_129_Pm2As2Ir2F2

[ "Au", "Sc", "W", "Y" ]

5

A2BCD

Au2ScWY

Y1 Sc1 W1 Au2

4

[ 1, 1, 1 ]

3

[ [ 5.15902515, 0, 0 ], [ 0, 4.73608497, 0 ], [ 0, 0, 5.15902515 ] ]

agm001502923

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[{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Y", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Y"]}]

[ "Y", "Sc", "Au", "Au", "W" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 3.1229084, 0, 0 ], [ 0, 4.31717, 0 ], [ 0, 0, 3.1229084 ] ]

-29.82783

[ 0, 0, 0, 0, 0 ]

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

0.001327

6.167079

pbe

true

53102d0312c8dfdf8e837805bad3391b_123_Y1Sc1W1Au2

[ "Bi", "Ce", "Pm", "Tb" ]

12

A6B3C2D

Bi6Ce3Pm2Tb

Tb1 Ce3 Pm2 Bi6

4

[ 1, 1, 1 ]

3

[ [ 7.92797962, -0.0011138, 0.00029492 ], [ -3.96302492, 6.86638883, 0.00029492 ], [ -1.32265553, -2.29016337, 7.47226324 ] ]

agm004655291

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[{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}]

[ "Tb", "Ce", "Ce", "Ce", "Pm", "Pm", "Bi", "Bi", "Bi", "Bi", "Bi", "Bi" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.16666666666666666, 0.08333333333333333 ]

[ [ 0.8625525, -0.00045619, 0.0006362 ], [ -0.00045619, 0.8620261, 0.00110158 ], [ 0.00063622, 0.0011016, 1.0233439 ] ]

-65.521421

[ -0.008, 0.817, 0.817, 0.822, 0, 0, -0.024, -0.024, -0.024, -0.024, -0.024, -0.024 ]

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2.570138

20.343304

pbe

true

8f5eb8fc842a884db638ee578983067c_12_Tb1Ce3Pm2Bi6

[ "C", "Cl", "H", "O" ]

36

A5B2CD

C2ClH5O

C2 Cl1 H5 O1

4

[ 1, 1, 1 ]

3

[ [ 6.270444, 0, 0.01197 ], [ 0, 7.840223, 0 ], [ -2.792573, 0, 7.594316 ] ]

oqmd-2070208

[ [ 3.528099999999998, 6.480059999999999, 1.1936800000000027 ], [ -0.4901700000000013, 7.0652, 1.590090000000003 ], [ 2.2291000000000003, 3.1450900000000024, 2.2130599999999996 ], [ 4.481279999999999, 2.559950000000002, 2.6214300000000033 ], [ -1.003409999999999, 5.280280000000004, 4.98485 ], [ 1.248770000000001, 4.695140000000003, 5.393230000000003 ], [ 3.968030000000001, 0.7750299999999998, 6.016200000000002 ], [ -0.050230000000002446, 1.3601600000000036, 6.41261 ], [ 5.261270000000003, 3.044100000000003, 1.0048399999999964 ], [ 2.748109999999999, 6.9642100000000005, 2.810280000000001 ], [ 0.7297600000000027, 0.8760100000000025, 4.796010000000002 ], [ -1.7833900000000005, 4.7961300000000024, 6.601449999999995 ], [ 2.72483, 6.597560000000002, 0.4598099999999995 ], [ 2.3772100000000025, 3.413829999999997, 1.1576300000000015 ], [ 0.279220000000001, 7.7080500000000045, 1.1553200000000023 ], [ 3.826749999999999, 5.435089999999998, 1.358379999999999 ], [ -0.18620000000000012, 6.011359999999999, 1.5116800000000008 ], [ 1.9251400000000016, 2.091250000000002, 2.291459999999999 ], [ 4.1826300000000005, 1.5149800000000002, 2.4567299999999994 ], [ 1.459719999999998, 3.787929999999996, 2.6478199999999976 ], [ -0.6382699999999996, 7.333940000000002, 2.645509999999998 ], [ -0.9859000000000008, 2.6774499999999968, 3.343330000000002 ], [ 4.4637699999999985, 5.162769999999998, 4.262950000000001 ], [ 4.1161499999999975, 0.5062799999999998, 4.960780000000001 ], [ 2.0181500000000008, 4.052289999999998, 4.9584699999999975 ], [ -0.7047599999999964, 6.325240000000003, 5.149559999999996 ], [ 1.5527399999999965, 5.748980000000003, 5.314820000000001 ], [ 3.664069999999998, 1.8288699999999984, 6.094610000000001 ], [ -0.3488799999999966, 2.405129999999997, 6.247899999999997 ], [ 3.198649999999999, 0.13217999999999971, 6.450960000000001 ], [ 1.1006599999999975, 4.426400000000001, 6.4486500000000015 ], [ 0.7530400000000027, 1.2426600000000008, 7.146480000000001 ], [ 4.575669999999998, 7.296330000000001, 0.8481499999999975 ], [ 3.4337100000000027, 3.376220000000004, 2.9669600000000007 ], [ 0.044160000000000046, 4.464010000000002, 4.639319999999995 ], [ -1.0977899999999976, 0.5438900000000001, 6.758140000000002 ] ]

[{"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}]

[ "C", "C", "C", "C", "C", "C", "C", "C", "Cl", "Cl", "Cl", "Cl", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "H", "O", "O", "O", "O" ]

2024-11-01 00:00:00

[ 0.2222222222222222, 0.1111111111111111, 0.5555555555555556, 0.1111111111111111 ]

[ [ 12.41498, 0.00001, -0.77196 ], [ 0.00001, 13.30209, 0.00017 ], [ -0.77196, 0.00017, 14.17256 ] ]

-180.759

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[ [ -0.039974, -0.082016, -0.006391 ], [ 0.042115, -0.025754, 0.021892 ], [ -0.043389, -0.025594, -0.021878 ], [ 0.039406, -0.080027, 0.006207 ], [ -0.040115, 0.08172, -0.006286 ], [ 0.041663, 0.025599, 0.022201 ], [ -0.043026, 0.025174, -0.021283 ], [ 0.039784, 0.080582, 0.005568 ], [ -0.014645, 0.000914, 0.024177 ], [ 0.016443, -0.002732, -0.02338 ], [ -0.014391, -0.000347, 0.024939 ], [ 0.014589, 0.00143, -0.022883 ], [ 0.050537, -0.017462, 0.027706 ], [ 0.009289, 0.000784, -0.010373 ], [ 0.008219, 0.003947, 0.000137 ], [ -0.009013, 0.042184, -0.027495 ], [ -0.006549, -0.006143, 0.011668 ], [ 0.006052, -0.006051, -0.011213 ], [ 0.008476, 0.042043, 0.027906 ], [ -0.008859, 0.003898, 0.000286 ], [ -0.009666, 0.000566, 0.01082 ], [ -0.050805, -0.017267, -0.027256 ], [ 0.050428, 0.017696, 0.0277 ], [ 0.009286, -0.000587, -0.010494 ], [ 0.008386, -0.0039, 0.000041 ], [ -0.008953, -0.041708, -0.027533 ], [ -0.006563, 0.006396, 0.011735 ], [ 0.006117, 0.006237, -0.011257 ], [ 0.008514, -0.041791, 0.02788 ], [ -0.008607, -0.003566, 0.00026 ], [ -0.009599, -0.000392, 0.010792 ], [ -0.050831, 0.01757, -0.027406 ], [ -0.029714, 0.02891, -0.022378 ], [ 0.03376, 0.033226, 0.019495 ], [ -0.029414, -0.030445, -0.021467 ], [ 0.031047, -0.033091, 0.017564 ] ]

null

pbe

false

da1c8cfa7250082eb8f6cd68e7023753_14_H20C8Cl4O4

[ "Cu", "Hg", "Ta" ]

8

A2BC

CuHg2Ta

Ta2 Cu2 Hg4

3

[ 1, 1, 1 ]

3

[ [ 7.39404161, 0, 0 ], [ 0, 7.39404161, 0 ], [ 3.6970208, 3.6970208, 2.89297806 ] ]

agm002823840

[ [ 5.37693397008835, 1.84851040125, 0.723244515 ], [ 2.01710763741165, 5.545531206250001, 0.723244515 ], [ 5.54553120375, 5.71412843991165, 2.1697335449999997 ], [ 9.24255200875, 9.073954772588351, 2.1697335449999997 ], [ 3.697020805, 3.697020805, 0 ], [ 3.6970208025, 7.3940416075, 1.44648903 ], [ 0, 0, 0 ], [ 7.3940416075, 3.6970208025, 1.44648903 ] ]

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

[ "Hg", "Hg", "Hg", "Hg", "Cu", "Cu", "Ta", "Ta" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -3.7934868, 0, 0 ], [ 0, -3.7934868, 0 ], [ 0, 0, -0.04103378 ] ]

-27.395875

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

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0

2.397353

pbe

true

282af65cf833c39c4aff7e8f6f470a93_122_Ta2Cu2Hg4

[ "F", "N", "Te", "Ti" ]

5

A2BCD

FN2TeTi

Ti1 Te1 N2 F1

4

[ 1, 1, 1 ]

3

[ [ 4.19951141, 0, 0 ], [ 0, 4.19951141, 0 ], [ 0, 0, 4.11874573 ] ]

agm001720771

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

[ "N", "N", "F", "Te", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.51250124, 0, 0 ], [ 0, 0.51250124, 0 ], [ 0, 0, 0.30688602 ] ]

-26.614174

[ -0.085, -0.085, 0.024, -0.024, 1.612 ]

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

1.645348

3.789866

pbe

true

fa139fde708c051ebfba15121f06a97f_123_Ti1Te1N2F1

[ "Ga", "Pd", "Te", "Ti" ]

5

A2BCD

GaPdTe2Ti

Ti1 Ga1 Te2 Pd1

4

[ 1, 1, 1 ]

3

[ [ 5.25695101, 0, 0 ], [ 0, 4.77125331, 0 ], [ 0, 0, 5.25695101 ] ]

agm001446341

[ [ 0, 0, 2.628475505 ], [ 2.628475505, 0, 0 ], [ 0, 0, 0 ], [ 2.628475505, 2.385626655, 2.628475505 ], [ 0, 2.385626655, 0 ] ]

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

[ "Te", "Te", "Ga", "Pd", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 2.6993964, 0, 0 ], [ 0, 3.2151897, 0 ], [ 0, 0, 2.6993964 ] ]

-18.724546

[ 0.002, 0.004, 0.002, 0.004, -0.005 ]

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

0.007434

6.472649

pbe

true

45f4ee0a8f755c6a2f268c53eba6a63d_123_Ti1Ga1Te2Pd1

[ "Hg", "Rh", "Sn", "Sr" ]

10

A4B3C2D

HgRh3Sn4Sr2

Sr2 Sn4 Hg1 Rh3

4

[ 1, 1, 1 ]

3

[ [ 4.66641136, 0, 0 ], [ 0, 4.66641136, 0 ], [ 0, 0, 10.99118273 ] ]

agm004528029

[ [ 2.33320568, 0, 2.7194210649878867 ], [ 0, 2.33320568, 8.271761665012113 ], [ 2.33320568, 2.33320568, 0 ], [ 0, 0, 0 ], [ 2.33320568, 0, 7.041562546774133 ], [ 0, 2.33320568, 3.949620183225867 ], [ 2.33320568, 2.33320568, 5.495591365 ], [ 0, 0, 5.495591365 ], [ 2.33320568, 0, 9.663703291302644 ], [ 0, 2.33320568, 1.3274794386973547 ] ]

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

[ "Sr", "Sr", "Sn", "Sn", "Sn", "Sn", "Hg", "Rh", "Rh", "Rh" ]

2023-11-16 06:57:59

[ 0.1, 0.3, 0.4, 0.2 ]

[ [ 5.3928037, 0, 0 ], [ 0, 5.3928037, 0 ], [ 0, 0, 5.588916 ] ]

-46.802769

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

[ [ 0, 0, -0.00102922 ], [ 0, 0, 0.00102922 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.0041153 ], [ 0, 0, 0.0041153 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00072345 ], [ 0, 0, 0.00072345 ] ]

0.000001

7.797708

pbe

true

f44ba0d1c480d132a829ce6548e5203f_115_Sr2Sn4Hg1Rh3

[ "Ac", "O", "Sn", "V" ]

20

A6B2CD

Ac2O6SnV

Ac4 V2 Sn2 O12

4

[ 1, 1, 1 ]

3

[ [ 5.87317463, 0, -0.0131408 ], [ 0, 6.18617828, 0 ], [ 0.03150436, 0, 8.35273515 ] ]

agm004940770

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

[ "Ac", "Ac", "Ac", "Ac", "V", "V", "Sn", "Sn", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.1, 0.1 ]

[ [ 1.0843397, 0, 0.08443091 ], [ 0, 0.8649872, 0 ], [ 0.0844311, 0, 1.0529121 ] ]

-148.415643

[ 0.002, 0.002, 0.002, 0.002, 1.056, 1.056, -0.017, -0.017, -0.01, -0.01, -0.01, -0.01, -0.007, -0.007, -0.007, -0.007, -0.029, -0.029, -0.029, -0.029 ]

[ [ 0.0010232, -0.00054051, 0.00044048 ], [ 0.0010232, 0.00054051, 0.00044048 ], [ -0.0010232, 0.00054051, -0.00044048 ], [ -0.0010232, -0.00054051, -0.00044048 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.002988, -0.00326267, -0.00152579 ], [ 0.002988, 0.00326267, -0.00152579 ], [ -0.002988, 0.00326267, 0.00152579 ], [ -0.002988, -0.00326267, 0.00152579 ], [ -0.00018674, 0.0010268, -0.0032057 ], [ -0.00018674, -0.0010268, -0.0032057 ], [ 0.00018674, -0.0010268, 0.0032057 ], [ 0.00018674, 0.0010268, 0.0032057 ], [ -0.00240635, 0.00176423, -0.00180154 ], [ -0.00240635, -0.00176423, -0.00180154 ], [ 0.00240635, -0.00176423, 0.00180154 ], [ 0.00240635, 0.00176423, 0.00180154 ] ]

2.006604

-0.139549

pbe

true

9f55f2f8f2fe832ae5fb170e5b0b0fce_14_Ac4V2Sn2O12

[ "I", "Pr", "Ru" ]

20

A12B7C

I12Pr7Ru

Pr7 Ru1 I12

3

[ 1, 1, 1 ]

3

[ [ 9.68819669, -0.14098325, -2.90229619 ], [ -3.86159848, 8.8864553, -2.90229595 ], [ -0.0939292, -0.1409844, 10.11314364 ] ]

agm005805093

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

[ "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Ru", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I", "I" ]

2023-11-16 06:57:59

[ 0.6, 0.35, 0.05 ]

[ [ 0.28357494, -0.0099734, -0.00499411 ], [ -0.00997346, 0.27524996, -0.00749582 ], [ -0.00499399, -0.0074959, 0.28646633 ] ]

-86.184298

[ 0.121, 0.121, 0.121, 0.13, 0.121, 0.121, 0.121, -0.044, 0.005, 0.005, 0.003, 0.003, 0.005, 0.003, 0.003, 0.005, 0.003, 0.003, 0.005, 0.005 ]

[ [ -0.00125909, 0.00013201, -0.000441 ], [ -0.00041982, 0.00066317, 0.00108681 ], [ 0.00025488, 0.0011111, -0.00070547 ], [ 0, 0, 0 ], [ -0.00025488, -0.0011111, 0.00070547 ], [ 0.00041982, -0.00066317, -0.00108681 ], [ 0.00125909, -0.00013201, 0.000441 ], [ 0, 0, 0 ], [ -0.00156993, -0.00164535, -0.00223331 ], [ 0.00052402, 0.00301631, 0.00088702 ], [ 0.0004662, 0.00102171, -0.00290268 ], [ -0.00196686, 0.00205995, -0.00125494 ], [ 0.00239932, 0.00208253, 0.00025671 ], [ 0.00257596, -0.00082376, -0.00154035 ], [ -0.00257596, 0.00082376, 0.00154035 ], [ -0.00239932, -0.00208253, -0.00025671 ], [ 0.00196686, -0.00205995, 0.00125494 ], [ -0.0004662, -0.00102171, 0.00290268 ], [ -0.00052402, -0.00301631, -0.00088702 ], [ 0.00156993, 0.00164535, 0.00223331 ] ]

2.017788

12.930694

pbe

true

0adf2e7395fe93dd250212659125cf2d_148_Pr7Ru1I12

[ "Bi", "O", "V", "Zn" ]

12

A8B2CD

BiO8V2Zn

V2 Zn1 Bi1 O8

4

[ 1, 1, 1 ]

3

[ [ 5.78653397, -0.00000998, 0 ], [ -2.89325834, 5.01129041, 0 ], [ 0, 0, 6.10829631 ] ]

agm004878665

[ [ 2.8932698955993077, 1.6704234666289985, 1.199901449460817 ], [ 0.00000573440069210904, 3.3408569633710012, 4.908394860539183 ], [ 0, 0, 3.054148155 ], [ 0, 0, 0 ], [ 0.00000573440069210904, 3.3408569633710012, 0.4372884126936306 ], [ 1.3904515689253818, 0.8036761869118844, 1.6639121925195832 ], [ 4.395304192045776, 0.8023183081873874, 1.6639121925195832 ], [ 2.8932698955993077, 1.6704234666289985, 5.671007897306369 ], [ -1.5020285620457772, 4.208962121812613, 4.444384117480417 ], [ 1.502824061074618, 4.207604243088116, 4.444384117480417 ], [ -0.0007782090288412916, 1.6060044750992717, 4.444384117480417 ], [ 2.894053839028841, 3.4052759549007283, 1.6639121925195832 ] ]

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

[ "V", "V", "Zn", "Bi", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.6666666666666666, 0.16666666666666666, 0.08333333333333333 ]

[ [ 0.9547516, 0.00000542, 0 ], [ -0.00000542, 0.9547516, 0 ], [ 0, 0, 1.0112418 ] ]

-77.522825

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

[ [ 0, 0, -0.00503052 ], [ 0, 0, 0.00503052 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00470544 ], [ -0.00245895, -0.00232008, -0.00246029 ], [ 0.00323873, -0.00096947, -0.00246029 ], [ 0, 0, 0.00470544 ], [ -0.00323873, 0.00096947, 0.00246029 ], [ 0.00245895, 0.00232008, 0.00246029 ], [ 0.00077977, -0.00328956, 0.00246029 ], [ -0.00077977, 0.00328956, -0.00246029 ] ]

0.000001

4.218769

pbe

true

eefe6c7cee3b73120deab46086404c54_164_V2Zn1Bi1O8

[ "Bi", "Fe", "H" ]

5

A3BC

BiFeH3

Fe1 Bi1 H3

3

[ 1, 1, 1 ]

3

[ [ 4.18847147, 0, 0 ], [ 0, 4.18847147, 0 ], [ 0, 0, 4.18847147 ] ]

agm002496172

[ [ 0, 2.094235735, 0 ], [ 0, 0, 2.094235735 ], [ 2.094235735, 0, 0 ], [ 0, 0, 0 ], [ 2.094235735, 2.094235735, 2.094235735 ] ]

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

[ "H", "H", "H", "Bi", "Fe" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 7.311172, 0, 0 ], [ 0, 7.311172, 0 ], [ 0, 0, 7.311172 ] ]

-16.562116

[ 0.012, 0.013, 0.025, -0.118, 3.363 ]

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

3.693237

3.094471

pbe

true

f2650d7e750b5cee6642ee0551f0daf9_221_Fe1Bi1H3

[ "Ca", "Pt", "U" ]

3

ABC

CaPtU

Ca1 Pt1 U1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.317694, 3.317694 ], [ 3.317694, 0, 3.317694 ], [ 3.317694, 3.317694, 0 ] ]

oqmd-3411506

[ [ 1.6588399999999972, 1.6588399999999972, 1.6588399999999972 ], [ 4.9765400000000035, 4.9765400000000035, 4.9765400000000035 ], [ 0, 0, 0 ] ]

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

[ "Ca", "Pt", "U" ]

2024-11-01 00:00:00

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 36.89059, 0, 0 ], [ 0, 36.89059, 0 ], [ 0, 0, 36.89059 ] ]

-17.8385

[ 0, 0, 0 ]

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

2.94409

null

pbe

false

8126d1224ec8a43d3b69cb844dafe429_216_Ca1U1Pt1

[ "Mg", "Mo", "Tl" ]

3

ABC

MgMoTl

Mg1 Tl1 Mo1

3

[ 1, 1, 1 ]

3

[ [ 4.68796924, 0, 0 ], [ 2.34398462, 4.05990045, 0 ], [ 2.34398462, 1.35330015, 3.82771085 ] ]

agm004300737

[ [ 4.68796924, 2.7066003, 1.913855425 ], [ 2.34398462, 1.35330015, 0.9569277125 ], [ 0, 0, 0 ] ]

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

[ "Mg", "Mo", "Tl" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 3.839407, 0, 0 ], [ 0, 3.839407, 0 ], [ 0, 0, 3.839407 ] ]

-11.947362

[ -0.004, 2.199, -0.054 ]

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

2.447179

1.626355

pbe

true

919213c7fe5b07a27313b02ec6732fb7_216_Mg1Tl1Mo1

[ "Cs", "Mn", "O", "Sn" ]

8

A4B2CD

Cs2MnO4Sn

Cs2 Mn1 Sn1 O4

4

[ 1, 1, 1 ]

3

[ [ 6.30165457, -0.00535728, -0.00649582 ], [ 0.00109572, 6.30190601, -0.00385065 ], [ -3.14768643, -3.14620607, 4.2954843 ] ]

agm004785583

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

[ "Cs", "Cs", "Mn", "Sn", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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[ "Cd", "Cd", "Bi", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au" ]

2023-11-16 06:57:59

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0

4.170001

pbe

true

ab273099fbb4b8e657a39d04aa05d6eb_2_Cd2Bi1Au8

[ "Co", "Dy", "In" ]

10

A3BC

CoDy3In

Dy6 In2 Co2

3

[ 1, 1, 1 ]

3

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agm003714891

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

[ "Dy", "Dy", "Dy", "Dy", "Dy", "Dy", "In", "In", "Co", "Co" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

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9.75233

pbe

true

6bfe49a92f54837d6a5c398fcba3337d_11_Dy6In2Co2

[ "Ce", "I", "Li" ]

11

A8B2C

Ce2I8Li

Li1 Ce2 I8

3

[ 1, 1, 1 ]

3

[ [ 6.26814716, -0.00935775, -0.00710028 ], [ -0.03153858, 9.92115235, 0.1717164 ], [ -0.03153858, 2.83679252, 9.50848877 ] ]

agm003525295

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

2023-11-16 06:57:59

[ 0.18181818181818182, 0.7272727272727273, 0.09090909090909091 ]

[ [ 0.64746475, -0.00237742, -0.00180389 ], [ -0.00237741, 0.46893203, -0.09658974 ], [ -0.00180388, -0.09658974, 0.5229433 ] ]

-38.347435

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1.025581

7.382704

pbe

true

c0d852b0021bd8caaef25b781ef807b4_12_Li1Ce2I8

[ "Hg", "Mo" ]

12

A2B

Hg2Mo

Hg8 Mo4

2

[ 1, 1, 1 ]

3

[ [ 5.83276678, 0, 0 ], [ 2.91638339, 5.0513242, 0 ], [ 0, 0, 9.15352207 ] ]

agm005512535

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

[ "Mo", "Mo", "Mo", "Mo", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg", "Hg" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 5.925314, 0, 0 ], [ 0, 5.925314, 0 ], [ 0, 0, 6.5777135 ] ]

-35.935245

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

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-0.000002

8.102348

pbe

true

96feb45c77ce709454df705f2fb65b15_194_Hg8Mo4

[ "Ir", "V" ]

8

A7B

Ir7V

V1 Ir7

2

[ 1, 1, 1 ]

3

[ [ 5.45239985, 0, 0 ], [ 2.72619992, 4.72191678, 0 ], [ 2.72619992, 1.57397226, 4.45186583 ] ]

agm002322968

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

[ "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir", "V" ]

2023-11-16 06:57:59

[ 0.875, 0.125 ]

[ [ 6.0439124, 0, 0 ], [ 0, 6.0439124, 1e-8 ], [ 0, 1e-8, 6.0439124 ] ]

-73.009131

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

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0.000001

5.479032

pbe

true

d9eb3e0516085f1a6cca4c205e1a38d4_225_V1Ir7

[ "Mg", "Se" ]

11

A8B3

Mg3Se8

Mg3 Se8

2

[ 1, 1, 1 ]

3

[ [ 6.42819954, -0.02706097, -0.02752618 ], [ -0.12923382, 6.42695839, -0.02752214 ], [ -0.12921417, -0.13128249, 6.42567607 ] ]

agm002220113

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

[ "Mg", "Mg", "Mg", "Se", "Se", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2727272727272727, 0.7272727272727273 ]

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-38.740932

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-0.000003

6.525454

pbe

true

2d53bd6373a163169637e4ec356ac0f6_148_Mg3Se8

[ "As", "Ge", "Nb" ]

24

ABC

AsGeNb

Nb8 Ge8 As8

3

[ 1, 1, 1 ]

3

[ [ 9.37677848, 0, 0 ], [ 0, 5.05002703, 0 ], [ 0, 0, 8.52601141 ] ]

agm002067476

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

[ "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Nb", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "As", "As", "As", "As", "As", "As", "As", "As" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 1.8473579, 0, 0 ], [ 0, 1.7031128, 0 ], [ 0, 0, 1.7159195 ] ]

-160.928292

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-0.000016

18.889061

pbe

true

312703e9334467653ab4a1bbf0a789be_43_Nb8Ge8As8

[ "Ce", "Dy", "Er", "N" ]

12

A3BCD

CeDyErN3

Ce2 Dy2 Er2 N6

4

[ 1, 1, 1 ]

3

[ [ 3.45143602, 0, 0 ], [ 0, 5.98242162, 0.27537554 ], [ 0, -2.24726144, 8.76935288 ] ]

agm005041328

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[{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}]

[ "Ce", "Ce", "Dy", "Dy", "Er", "Er", "N", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.16666666666666666, 0.5 ]

[ [ 0.6851151, 0, 0 ], [ 0, 0.7942188, -0.01327828 ], [ 0, -0.01327833, 0.732228 ] ]

-97.314297

[ 0.559, 0.559, 0.153, 0.153, 0.068, 0.068, -0.036, -0.029, -0.026, -0.036, -0.026, -0.029 ]

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1.69104

7.679586

pbe

true

5c15f0127be14e36a45cf346dfc45e8b_11_Ce2Dy2Er2N6

[ "Fe", "K", "N", "Se" ]

5

A2BCD

FeKNSe2

K1 Fe1 Se2 N1

4

[ 1, 1, 1 ]

3

[ [ 5.75170828, 0, 0 ], [ 0, 5.75170828, 0 ], [ 0, 0, 4.73680294 ] ]

agm001795563

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2023-11-16 06:57:59

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Hg2SYZn

Y1 Zn1 Hg2 S1

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2023-11-16 06:57:59

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InPb3Pr2Te6

Pr2 In1 Te6 Pb3

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[ "Pr", "Pr", "In", "Te", "Te", "Te", "Te", "Te", "Te", "Pb", "Pb", "Pb" ]

2023-11-16 06:57:59

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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Ni1 Pd2 Rh1 Pt1

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3

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agm001471571

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[ "Ni", "Rh", "Pd", "Pd", "Pt" ]

2023-11-16 06:57:59

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CuN6O12PbRb2

Rb2 Cu1 Pb1 N6 O12

5

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2023-11-16 06:57:59

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Pm8 Dy2 Sc6

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2023-11-16 06:57:59

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2023-11-16 06:57:59

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[ [ 12.0066, 0, 0 ], [ 0, 12.0066, 0 ], [ 0, 0, 12.0066 ] ]

-30.731552

[ -0.005, -0.005, -0.005, 2.38, -0.513 ]

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2.160358

4.939308

pbe

true

583b4c7d581c0edaee3bbd59dcaaff0b_221_U1V1H3

[ "Ag", "Ho", "Nd", "Tb" ]

4

ABCD

AgHoNdTb

Tb1 Nd1 Ho1 Ag1

4

[ 1, 1, 1 ]

3

[ [ 5.43569951, 0, 0 ], [ 2.71784976, 4.70745387, 0 ], [ 2.71784976, 1.56915129, 4.43823007 ] ]

agm001355172

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

[ "Nd", "Tb", "Ho", "Ag" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.0267202, 0, 0 ], [ 0, 1.0267202, 0 ], [ 0, 0, 1.0267202 ] ]

-16.575523

[ 0, 0, 0, 0 ]

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-0.000044

4.065154

pbe

true

4814d49e9d9fec76c2dffd91c7f6b66b_216_Tb1Nd1Ho1Ag1

[ "B", "P", "Sb", "Te" ]

5

A2BCD

BPSb2Te

B1 Sb2 Te1 P1

4

[ 1, 1, 1 ]

3

[ [ 4.84171302, 0, 0 ], [ 0, 4.84171302, 0 ], [ 0, 0, 4.73892161 ] ]

agm001782865

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

[ "Sb", "Sb", "B", "Te", "P" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.08618985, 0, 0 ], [ 0, 0.08618985, 0 ], [ 0, 0, -0.03932284 ] ]

-18.82382

[ 0, 0, 0, 0, 0 ]

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

0

3.911016

pbe

true

5c1d40e78135cfd074c60d143f492061_123_B1Sb2Te1P1

[ "Be", "Cr", "O", "P" ]

5

A2BCD

BeCrO2P

Be1 Cr1 P1 O2

4

[ 1, 1, 1 ]

3

[ [ 3.57009923, 0, 0 ], [ 0, 3.57009923, 0 ], [ 0, 0, 5.29047032 ] ]

agm001752355

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

[ "Cr", "Be", "O", "O", "P" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.6184071, 0, 0 ], [ 0, 0.6184071, 0 ], [ 0, 0, 0.61322796 ] ]

-28.018601

[ 2.152, 0.005, -0.281, -0.281, -0.182 ]

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

1.225436

3.047325

pbe

true

b88df8a82eecd4f93bc4e04d13685d11_123_Be1Cr1P1O2

[ "Er", "In", "La", "Li" ]

20

A5B2C2D

ErIn5La2Li2

Li4 La4 Er2 In10

4

[ 1, 1, 1 ]

3

[ [ 4.58097409, 0, 0 ], [ 0, 10.4302768, 0 ], [ 0, 0, 10.4302768 ] ]

agm005142775

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[{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}]

[ "Li", "Li", "Li", "Li", "La", "La", "La", "La", "Er", "Er", "In", "In", "In", "In", "In", "In", "In", "In", "In", "In" ]

2023-11-16 06:57:59

[ 0.1, 0.5, 0.2, 0.2 ]

[ [ 2.928593, 0, 0 ], [ 0, 2.879126, 0 ], [ 0, 0, 2.879126 ] ]

-72.836884

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

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0.000002

10.681179

pbe

true

44409f3b1e399361087efe43bc8967e5_127_Li4La4Er2In10

[ "In", "La", "Te", "Tl" ]

15

A8B3C3D

InLa3Te8Tl3

La3 Tl3 In1 Te8

4

[ 1, 1, 1 ]

3

[ [ 9.20036636, 0, 0 ], [ -4.60018319, 7.96587964, -0.02935086 ], [ 0, -5.28162809, 8.05783321 ] ]

agm004699120

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

[ "La", "La", "La", "Tl", "Tl", "Tl", "In", "Te", "Te", "Te", "Te", "Te", "Te", "Te", "Te" ]

2023-11-16 06:57:59

[ 0.06666666666666667, 0.2, 0.5333333333333333, 0.2 ]

[ [ 1.3546224, 0, 0 ], [ 0, 1.3540039, -0.00003363 ], [ 0, -0.00003363, 1.3754942 ] ]

-63.080617

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[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, -0.00000637, -0.00176697 ], [ 0, 0.00000637, 0.00176697 ], [ 0, 0.00412343, 0.00023032 ], [ 0, -0.00412343, -0.00023032 ], [ 0.00357107, -0.00206039, 0.0002531 ], [ -0.00357107, 0.00206039, -0.0002531 ], [ -0.00357107, -0.00206039, 0.0002531 ], [ 0.00357107, 0.00206039, -0.0002531 ] ]

0.000001

10.792909

pbe

true

cea11f7100030fb4a743e7404346e946_166_La3Tl3In1Te8

[ "Li", "Mg", "Rh", "V" ]

4

ABCD

LiMgRhV

Li1 Mg1 V1 Rh1

4

[ 1, 1, 1 ]

3

[ [ 4.33911597, 0, 0 ], [ 2.16955799, 3.75778466, 0 ], [ 2.16955799, 1.25259489, 3.54287336 ] ]

agm001380425

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

[ "Mg", "Li", "Rh", "V" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 5.604189, 0, 0 ], [ 0, 5.604189, 0 ], [ 0, 0, 5.604189 ] ]

-20.484737

[ 0.002, -0.003, -0.075, 0.774 ]

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

0.847328

3.158777

pbe

true

983e383718d3fcdf821c2849a50e07a4_216_Li1Mg1V1Rh1

[ "Ba", "Mo", "Pt" ]

6

ABC

BaMoPt

Ba2 Mo2 Pt2

3

[ 1, 1, 1 ]

3

[ [ 7.71539363, 0.19809348, -0.16116383 ], [ -0.05103035, 4.60233471, 0.14399551 ], [ 0.05124829, -0.80770644, 4.53308658 ] ]

agm003103814

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

[ "Mo", "Mo", "Ba", "Ba", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 2.662324, 0.19210522, -0.1508652 ], [ 0.19210544, 3.1659477, 0.20388585 ], [ -0.1508647, 0.20388618, 3.267036 ] ]

-37.836836

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[ [ -0.00022917, -0.00251614, -0.00383955 ], [ -0.00039042, 0.00310665, 0.00338803 ], [ 0.0039541, 0.00286699, -0.00241203 ], [ -0.00371841, -0.00311451, 0.00261651 ], [ 0.01267996, -0.00619502, 0.0050576 ], [ -0.01229607, 0.00585202, -0.00481056 ] ]

0

4.860719

pbe

true

36186a905d81d3ab4ff0153bf9800455_12_Ba2Mo2Pt2

[ "Be", "Ga", "Sn" ]

8

A2BC

BeGa2Sn

Be2 Ga4 Sn2

3

[ 1, 1, 1 ]

3

[ [ 4.54936402, 0, 0 ], [ 0, 4.54936402, 0 ], [ 2.27468201, 2.27468201, 7.70310789 ] ]

agm002802567

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

[ "Be", "Be", "Sn", "Sn", "Ga", "Ga", "Ga", "Ga" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.74664044, 0, 0 ], [ 0, 0.74664044, 0 ], [ 0, 0, 3.7669387 ] ]

-25.993251

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

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0

0.549902

pbe

true

73151798a01a3f03feedbc3f79f7923e_122_Be2Ga4Sn2

[ "Al", "Cr", "La" ]

46

A20B2C

Al20Cr2La

Al20 Cr2 La1

3

[ 1, 1, 1 ]

3

[ [ 0, 7.255171019, 7.255171019 ], [ 7.255171019, 0, 7.255171019 ], [ 7.255171019, 7.255171019, 0 ] ]

oqmd-9810036

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

[ "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Al", "Cr", "Cr", "Cr", "Cr", "La", "La" ]

2024-11-01 00:00:00

[ 0.8695652173913043, 0.08695652173913043, 0.043478260869565216 ]

[ [ -0.2701916, 0, 0 ], [ 0, -0.2701916, 0 ], [ 0, 0, -0.2701916 ] ]

-204.984

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3.70223

null

pbe

false

e6f6251b788d6d906e6cf6056303f1e4_227_La2Al40Cr4

[ "Br", "Cu", "P" ]

4

A2BC

Br2CuP

Cu1 P1 Br2

3

[ 1, 1, 1 ]

3

[ [ 8.34497118, 0.19410411, 0 ], [ 6.61971801, 5.08483568, 0 ], [ -7.48234261, -2.63946919, 2.59306135 ] ]

agm003816431

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

[ "Br", "Br", "Cu", "P" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ -1.1911037, 0.07355107, -0.00000107 ], [ 0.07355107, -1.3736597, -3.8e-7 ], [ -0.00000107, -3.8e-7, -1.3996116 ] ]

-11.02522

[ 0, 0, 0, 0 ]

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

0.000034

2.281424

pbe

true

eb794a1b66944c57d34db56c8a8cb23e_119_Cu1P1Br2

[ "Hg", "Li", "Pr" ]

9

A4B3C2

Hg4Li2Pr3

Li2 Pr3 Hg4

3

[ 1, 1, 1 ]

3

[ [ 5.28493295, 0, 0 ], [ -2.64246648, 4.78882863, -0.00619686 ], [ 0, -1.83325181, 9.05060222 ] ]

agm003339930

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

[ "Li", "Li", "Pr", "Pr", "Pr", "Hg", "Hg", "Hg", "Hg" ]

2023-11-16 06:57:59

[ 0.4444444444444444, 0.2222222222222222, 0.3333333333333333 ]

[ [ 3.0900087, 0, 0 ], [ 0, 3.048798, 0.00676644 ], [ 0, 0.00676612, 3.1130779 ] ]

-22.927809

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

[ [ 0, 0.0014549, -0.00141983 ], [ 0, -0.0014549, 0.00141983 ], [ 0, -0.00068022, 0.00332389 ], [ 0, 0, 0 ], [ 0, 0.00068022, -0.00332389 ], [ 0, -0.00215157, 0.00045114 ], [ 0, 0.00215157, -0.00045114 ], [ 0, 0.00210541, 0.00409676 ], [ 0, -0.00210541, -0.00409676 ] ]

-0.00003

6.552734

pbe

true

01affa6a03b1c2b2dc2bba556b1f1b63_12_Li2Pr3Hg4

[ "I", "Rb", "Te" ]

10

A3BC

I3RbTe

Rb2 Te2 I6

3

[ 1, 1, 1 ]

3

[ [ 4.22196844, -12.14316146, 0 ], [ 4.22196844, 12.14316146, 0 ], [ 0, 0, 6.38753461 ] ]

agm003135749

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

[ "I", "I", "I", "I", "I", "I", "Te", "Te", "Rb", "Rb" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 0.22070444, 0, 0 ], [ 0, 0.21711987, 0 ], [ 0, 0, -0.22424224 ] ]

-21.942885

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

[ [ -0.01386378, -0.00927478, 0 ], [ 0.01386378, -0.00927478, 0 ], [ -0.01386378, 0.00927478, 0 ], [ 0.01386378, 0.00927478, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.01743797, 0 ], [ 0, -0.01743797, 0 ], [ 0, -0.0067114, 0 ], [ 0, 0.0067114, 0 ] ]

0.000965

4.59681

pbe

true

ee84334bbdc047fd952e4623da8388b4_63_Rb2Te2I6