LeMaterial/LeMat-BulkUnique · Datasets at Hugging Face

[ "N", "S", "U", "Zr" ]

10

A2BCD

NS2UZr

Zr2 U2 S4 N2

4

[ 1, 1, 1 ]

3

[ [ 3.6964886, 0, 0 ], [ 0, 3.6964886, 0 ], [ 0, 0, 12.93394273 ] ]

agm004991499

[ [ 1.8482443, 0, 1.1637025251000348 ], [ 0, 1.8482443, 11.770240204899965 ], [ 1.8482443, 0, 7.713394084884595 ], [ 0, 1.8482443, 5.220548645115405 ], [ 0, 1.8482443, 9.087546473557016 ], [ 0, 1.8482443, 1.4875006771993295 ], [ 1.8482443, 0, 11.44644205280067 ], [ 1.8482443, 0, 3.846396256442985 ], [ 0, 0, 6.466971365 ], [ 1.8482443, 1.8482443, 6.466971365 ] ]

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

[ "Zr", "Zr", "U", "U", "S", "S", "S", "S", "N", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ 0.2014646, 0, 0 ], [ 0, 0.2014646, 0 ], [ 0, 0, 0.17718852 ] ]

-88.17322

[ 0.018, 0.018, 1.491, 1.491, -0.047, -0.003, -0.003, -0.047, -0.097, -0.097 ]

[ [ 0, 0, 0.00303946 ], [ 0, 0, -0.00303946 ], [ 0, 0, 0.00116752 ], [ 0, 0, -0.00116752 ], [ 0, 0, -0.00433294 ], [ 0, 0, -0.00270633 ], [ 0, 0, 0.00270633 ], [ 0, 0, 0.00433294 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

2.897236

12.183552

pbe

true

89847a066c1fbc2c770f8dfe70768afb_129_Zr2U2S4N2

[ "Nd", "Pu", "S", "Sm" ]

12

A6B3C2D

Nd2PuS6Sm3

Nd2 Sm3 Pu1 S6

4

[ 1, 1, 1 ]

3

[ [ 4.00357632, 0, 0 ], [ 0, 8.07135075, 0.28607499 ], [ -2.00178816, -2.32677424, 8.44969317 ] ]

agm004611356

[ [ 2.0017881399821182, 3.8429319126065296, 5.851314020311311 ], [ 2.001788159665094e-8, 1.901644597393471, 2.8844541396886885 ], [ 2.00178816, 4.035675375, 0.143037495 ], [ 2.0017881600000003, -0.2218251169188921, 5.6723607539698575 ], [ 1.6487227803031602e-17, 5.966401626918892, 3.0634074060301417 ], [ 2.00178816, 0, 0 ], [ 1.0044775899782509e-16, 5.872939265057828, 5.917104306327234 ], [ 2.00178615821184, 3.9624989573155265, 2.9730561910386766 ], [ 2.00178816, -0.1283627550578274, 2.8186638536727666 ], [ 2.00179016178816, -0.3333592447503931, 8.4878810813354 ], [ -0.000002001788160000418, 6.077935754750393, 0.24788707866459928 ], [ 0.000002001788160055327, 1.7820775526844743, 5.762711968961323 ] ]

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

[ "Nd", "Nd", "Sm", "Sm", "Sm", "Pu", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.08333333333333333, 0.5, 0.25 ]

[ [ 0.5590618, 0, 0 ], [ 0, 0.6610925, -0.05904246 ], [ 0, -0.0590424, 0.7031706 ] ]

-86.746978

[ 0.022, 0.022, 0.01, 0.014, 0.014, 5.381, -0.02, 0.009, -0.02, -0.046, -0.046, 0.009 ]

[ [ 0, -0.00168218, 0.00055854 ], [ 0, 0.00168218, -0.00055854 ], [ 0, 0, 0 ], [ 0, -0.00258078, -0.00104187 ], [ 0, 0.00258078, 0.00104187 ], [ 0, 0, 0 ], [ 0, 0.00051878, -0.00226545 ], [ 0, -0.0003883, 0.00330389 ], [ 0, -0.00051878, 0.00226545 ], [ 0, -0.00014712, 0.00138069 ], [ 0, 0.00014712, -0.00138069 ], [ 0, 0.0003883, -0.00330389 ] ]

5.839057

8.516439

pbe

true

43a4cb43087ac911ffb54a11f00787fb_12_Nd2Sm3Pu1S6

[ "Ag", "Li", "Mg" ]

12

A5B4C3

Ag4Li5Mg3

Li5 Mg3 Ag4

3

[ 1, 1, 1 ]

3

[ [ 5.5272216, -0.36062583, 1.34941848 ], [ -3.90700214, 6.14050973, -5.30604912 ], [ 3.24680614, -3.36783398, 9.68788124 ] ]

agm005695589

[ [ 2.0042892410580513, 1.2048549285831562, 5.001406267181931 ], [ 4.38701387, -1.864229905, 5.51864986 ], [ 2.1403727537118487, 2.8082625689728373, -1.6289879521872246 ], [ 2.7266528462881516, -0.3962126489728372, 7.360238552187224 ], [ 2.8627363589419494, 1.2071949914168438, 0.7298443328180689 ], [ 3.8812532329037817, -0.168826514579194, 3.1653043053640464 ], [ 1.62340307, -1.68391699, 4.84394062 ], [ 0.9857723670962183, 2.5808764345791935, 2.5659462946359524 ], [ 3.7996024522369654, 2.686637121318143, 3.2131263751379144 ], [ 4.725794447211822, 0.9003050103847231, 5.757492764777099 ], [ 0.14123115278817783, 1.5117449096152769, -0.0262421647770996 ], [ 1.0674231477630338, -0.27458720131814196, 2.5181242248620848 ] ]

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

[ "Li", "Li", "Li", "Li", "Li", "Mg", "Mg", "Mg", "Ag", "Ag", "Ag", "Ag" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.4166666666666667, 0.25 ]

[ [ 3.1809638, -0.09380358, -0.03452822 ], [ -0.09380369, 3.3577268, 0.05372442 ], [ -0.03452844, 0.05372449, 3.0442324 ] ]

-27.746789

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

[ [ -0.00723204, -0.00228993, -0.00371139 ], [ 0, 0, 0 ], [ -0.00107776, -0.00188097, 0.00183942 ], [ 0.00107776, 0.00188097, -0.00183942 ], [ 0.00723204, 0.00228993, 0.00371139 ], [ -0.00605062, -0.00074854, -0.00320538 ], [ 0, 0, 0 ], [ 0.00605062, 0.00074854, 0.00320538 ], [ 0.00289149, -0.00148221, 0.00420312 ], [ -0.00260186, 0.00169075, 0.00056051 ], [ 0.00260186, -0.00169075, -0.00056051 ], [ -0.00289149, 0.00148221, -0.00420312 ] ]

0

3.62783

pbe

true

baba1f0b676a146d0417656d3506e6d0_2_Li5Mg3Ag4

[ "Al", "As", "Br" ]

4

A2BC

AlAsBr2

Al1 As1 Br2

3

[ 1, 1, 1 ]

3

[ [ 1.94831973, 0, 9.62748191 ], [ -0.97415986, 1.68729438, 9.62748191 ], [ -0.97415986, -1.68729438, 9.62748191 ] ]

agm002754582

[ [ 4.999999969612645e-9, 0, 14.441222865 ], [ 0, 0, 0 ], [ 9.125835649881356e-9, -1.1298979878154115e-17, 26.357645723439113 ], [ 8.741641907650045e-10, -6.059669084530128e-18, 2.5248000065608864 ] ]

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

[ "As", "Al", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.7836579, 0, 0 ], [ 0, 0.7836579, 0 ], [ 0, 0, -1.182325 ] ]

-10.73878

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.02408022 ], [ 0, 0, -0.02408022 ] ]

0

2.209435

pbe

true

f43e3031177c7fdb90487cf4c8dce00f_166_Al1As1Br2

[ "Al", "Cu", "Pm" ]

17

A9B6C2

Al6Cu9Pm2

Pm2 Al6 Cu9

3

[ 1, 1, 1 ]

3

[ [ 5.2623731, 0, 0 ], [ -2.63118655, 4.55734886, 0 ], [ 0, 0, 12.11599986 ] ]

agm005655789

[ [ 0, 0, 8.175439923733048 ], [ 0, 0, 3.9405599362669532 ], [ -0.000002631186550155152, 3.03823409244962, 0 ], [ 2.6311891811865498, 1.51911476755038, 0 ], [ -0.000002631186550155152, 3.03823409244962, 8.04654349574244 ], [ 2.6311891811865498, 1.51911476755038, 8.04654349574244 ], [ 2.6311891811865498, 1.51911476755038, 4.069456364257559 ], [ -0.000002631186550155152, 3.03823409244962, 4.069456364257559 ], [ 2.63118655, 0, 10.087409279920301 ], [ -1.315593275, 2.27867443, 10.087409279920301 ], [ 1.315593275, 2.27867443, 10.087409279920301 ], [ 2.63118655, 0, 2.0285905800796993 ], [ -1.315593275, 2.27867443, 2.0285905800796993 ], [ 1.315593275, 2.27867443, 2.0285905800796993 ], [ 2.63118655, 0, 6.05799993 ], [ -1.315593275, 2.27867443, 6.05799993 ], [ 1.315593275, 2.27867443, 6.05799993 ] ]

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

[ "Pm", "Pm", "Al", "Al", "Al", "Al", "Al", "Al", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu", "Cu" ]

2023-11-16 06:57:59

[ 0.35294117647058826, 0.5294117647058824, 0.11764705882352941 ]

[ [ -6.0748653, 0, 0 ], [ 0, -6.074866, 0 ], [ 0, 0, -5.4670663 ] ]

-71.904719

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

[ [ 0, 0, -0.00559946 ], [ 0, 0, 0.00559946 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00176016 ], [ 0, 0, 0.00176016 ], [ 0, 0, -0.00176016 ], [ 0, 0, -0.00176016 ], [ 0, 0, -0.00547707 ], [ 0, 0, -0.00547707 ], [ 0, 0, -0.00547707 ], [ 0, 0, 0.00547707 ], [ 0, 0, 0.00547707 ], [ 0, 0, 0.00547707 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

0

7.292824

pbe

true

f198a3ccdb50d68e94d978526f781c0b_191_Pm2Al6Cu9

[ "Al", "Mn", "Sr" ]

11

A4B4C3

Al4Mn4Sr3

Sr3 Mn4 Al4

3

[ 1, 1, 1 ]

3

[ [ 6.85777128, 0, 0 ], [ -2.28592376, 6.46556877, 0 ], [ -2.28592376, -3.23278439, 5.5993468 ] ]

agm002252941

[ [ -2.28592376, 1.61639219, 2.7996734 ], [ 2.2859237599999997, -1.616392195, 2.7996734 ], [ 2.2859237599999997, 3.232784385, 0 ], [ -0.5266793716793736, -0.7448371118466729, 1.290095717994948 ], [ 1.7592443883206261, 2.4879472704573384, 4.309251082005052 ], [ -0.5266793716793736, 1.4896742213893346, 0 ], [ 1.5800381150381206, 0, 0 ], [ 3.176700153436089, 0.7132882658979205, 5.5993468 ], [ 0.8907763934360893, 1.259748055102645, 2.181947637703328 ], [ 4.1854420996917305, 0, 0 ], [ 3.176700153436089, 4.492532438999435, 3.417399162296672 ] ]

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

[ "Sr", "Sr", "Sr", "Mn", "Mn", "Mn", "Mn", "Al", "Al", "Al", "Al" ]

2023-11-16 06:57:59

[ 0.36363636363636365, 0.36363636363636365, 0.2727272727272727 ]

[ [ 1.0531423, 0, 0 ], [ 0, 1.0531423, 0 ], [ 0, 0, 1.0531423 ] ]

-56.684229

[ -0.043, -0.045, -0.047, 2.692, 2.785, 2.743, 2.754, -0.064, -0.068, -0.067, -0.064 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0019688, 0.0027843, -0.00482254 ], [ 0.0019688, 0.0027843, 0.00482254 ], [ 0.0019688, -0.0055686, 0 ], [ -0.00590639, 0, 0 ], [ 0.00137084, -0.00387732, 0 ], [ 0.00137084, 0.00193866, 0.00335786 ], [ -0.00411252, 0, 0 ], [ 0.00137084, 0.00193866, -0.00335786 ] ]

10.429682

9.176218

pbe

true

26fd2b67317fa72436e93562f00ad21b_217_Sr3Mn4Al4

[ "Au", "Ca", "Hg" ]

10

A5B4C

AuCa5Hg4

Ca5 Hg4 Au1

3

[ 1, 1, 1 ]

3

[ [ 3.71035188, 0, 0 ], [ 0, 3.71035188, 0 ], [ 0, 0, 19.26342991 ] ]

agm003646228

[ [ 1.85517594, 1.85517594, 1.7920383576674799 ], [ 1.85517594, 1.85517594, 5.724454520259175 ], [ 1.85517594, 1.85517594, 9.631714955 ], [ 1.85517594, 1.85517594, 13.538975389740825 ], [ 1.85517594, 1.85517594, 17.47139155233252 ], [ 0, 0, 3.7689274329455253 ], [ 0, 0, 7.673826171179384 ], [ 0, 0, 11.589603738820616 ], [ 0, 0, 15.494502477054475 ], [ 0, 0, 0 ] ]

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

[ "Ca", "Ca", "Ca", "Ca", "Ca", "Hg", "Hg", "Hg", "Hg", "Au" ]

2023-11-16 06:57:59

[ 0.1, 0.5, 0.4 ]

[ [ 3.9878924, 0, 0 ], [ 0, 3.9878924, 0 ], [ 0, 0, 3.871873 ] ]

-20.447285

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

[ [ 0, 0, 0.00627582 ], [ 0, 0, 0.00469486 ], [ 0, 0, 0 ], [ 0, 0, -0.00469486 ], [ 0, 0, -0.00627582 ], [ 0, 0, 0.01577484 ], [ 0, 0, 0.00925461 ], [ 0, 0, -0.00925461 ], [ 0, 0, -0.01577484 ], [ 0, 0, 0 ] ]

-0.000002

6.577063

pbe

true

be16a8d21abaa3df399bbb05f8b2f8e9_123_Ca5Hg4Au1

[ "Be", "La", "Os" ]

4

A2BC

BeLaOs2

La1 Be1 Os2

3

[ 1, 1, 1 ]

3

[ [ 2.85577373, 0, 0 ], [ 0, 3.62198698, 0 ], [ 0, 0, 6.85684268 ] ]

agm003982444

[ [ 0, 0, 2.904277771540254 ], [ 0, 0, 0.5771630073880172 ], [ 1.427886865, 1.81099349, 1.7390774899580075 ], [ 1.427886865, 1.81099349, 5.064745751113721 ] ]

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

[ "Be", "Os", "Os", "La" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.4763452, 0, 0 ], [ 0, 1.2538341, 0 ], [ 0, 0, 1.0215982 ] ]

-30.201339

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0.01042071 ], [ 0, 0, -0.00979181 ], [ 0, 0, 0.00049477 ], [ 0, 0, -0.00112368 ] ]

0.000222

3.374154

pbe

true

12ae61ac59f28e5d0dd88a641c992b66_25_La1Be1Os2

[ "Br", "Te", "V" ]

5

A2B2C

Br2TeV2

V2 Te1 Br2

3

[ 1, 1, 1 ]

3

[ [ 3.95018512, -0.00100082, 0 ], [ 1.975972, 3.42091093, 0 ], [ 0, 0, 21.12586716 ] ]

agm2000061077

[ [ 1.0765615500188752, 0.1348931851258648, 12.240416583663414 ], [ 1.0765527630995553, 0.1349019119516063, 8.885450365077912 ], [ 3.0519655973804096, 1.275523982956149, 10.562934002517343 ], [ 5.027741783266306, 2.4145851481609877, 13.625867007675257 ], [ 5.027731239033477, 2.4145958940647847, 7.499999941066071 ] ]

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

[ "V", "V", "Te", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.4 ]

[ [ 0.5574767, 0.00489869, 0 ], [ 0.0048986, 0.56536484, 0 ], [ 0, 0, 0.02145595 ] ]

-27.169423

[ 2.632, 2.632, -0.083, -0.029, -0.029 ]

[ [ 0.00127989, 0.00076749, 0.00620492 ], [ 0.00127989, 0.00076749, -0.00620492 ], [ -0.00010541, -0.00324583, 0 ], [ -0.00122719, 0.00085542, -0.00037467 ], [ -0.00122719, 0.00085542, 0.00037467 ] ]

6.005367

0.330554

pbe

true

60b81275fb7c66679d53cd6fa0622ce2_187_V2Te1Br2

[ "Cl", "O", "Pb" ]

5

A2B2C

ClO2Pb2

Pb2 Cl1 O2

3

[ 1, 1, 1 ]

3

[ [ 4.69247924, 0, 0 ], [ 0, 4.69247924, 0 ], [ 2.34623962, 2.34623962, 5.04716245 ] ]

agm002938168

[ [ 4.69247924, 2.34623962, 2.523581225 ], [ 2.34623962, 4.69247924, 2.523581225 ], [ 2.3462395965376035, 2.3462395965376035, 1.9046901403927046 ], [ 4.692479263462396, 4.692479263462396, 3.142472309607295 ], [ 0, 0, 0 ] ]

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

[ "Pb", "Pb", "O", "O", "Cl" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.4 ]

[ [ -0.5485091, 0, 0 ], [ 0, -0.5485091, 0 ], [ 0, 0, 0.3257295 ] ]

-22.784733

[ 0, 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.02167926 ], [ 0, 0, -0.02167926 ], [ 0, 0, 0 ] ]

0

2.196874

pbe

true

b1a2fd9111f50f85fc0e5070c3a59b93_139_Pb2Cl1O2

[ "N", "Pa", "Re", "V" ]

10

A6B2CD

N6PaRe2V

Pa1 V1 Re2 N6

4

[ 1, 1, 1 ]

3

[ [ 5.33836713, 0.11165515, -0.00713231 ], [ 2.76504087, 4.68207935, -0.20381016 ], [ 2.693485, 1.39693152, 4.64217959 ] ]

agm004963581

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[ "Pa", "V", "Re", "Re", "N", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.6, 0.1, 0.2, 0.1 ]

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3.803559

pbe

true

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[ "Ba", "Nd" ]

4

A3B

Ba3Nd

Ba3 Nd1

2

[ 1, 1, 1 ]

3

[ [ 4.23022825, 0, 0 ], [ 0, 7.23544426, 0 ], [ -2.11511412, -3.61772213, 6.84700244 ] ]

agm001283683

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[ "Nd", "Ba", "Ba", "Ba" ]

2023-11-16 06:57:59

[ 0.75, 0.25 ]

[ [ 0.90634394, 0, 0 ], [ 0, 0.89659595, 0 ], [ 0, 0, 0.90841097 ] ]

-9.830106

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0.001176

6.472433

pbe

true

245dd2c3ee98a7340d2dbada8a0b3a73_44_Ba3Nd1

[ "Au", "Br" ]

17

A9B8

Au9Br8

Au9 Br8

2

[ 1, 1, 1 ]

3

[ [ 12.24202352, -3e-8, 0 ], [ -6.12101218, 10.60190437, 0 ], [ 0, 0, 18.77942138 ] ]

agm2000121094

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

[ "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Au", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.5294117647058824, 0.47058823529411764 ]

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0.001774

6.297497

pbe

true

df04a2365553f3d5eb5d6fd312213d44_157_Au9Br8

[ "H", "Pa" ]

6

A2B

H2Pa

Pa2 H4

2

[ 1, 1, 1 ]

3

[ [ 3.3184613, -0.00005875, -0.00000724 ], [ -1.65905916, 2.82587102, -0.53280764 ], [ 0.00023279, -0.5904967, 7.24290879 ] ]

agm005541358

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

[ "Pa", "Pa", "H", "H", "H", "H" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 11.927593, 0.00054819, 0.00035054 ], [ 0.00054819, 11.655708, -0.8167026 ], [ 0.00035054, -0.8167314, 11.467618 ] ]

-34.15613

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

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0.000016

6.289644

pbe

true

2f01cbbc090fa64af6fe6bbae7afd83e_166_Pa2H4

[ "Os", "Re" ]

16

A5B3

Os5Re3

Re6 Os10

2

[ 1, 1, 1 ]

3

[ [ 6.40758013, 0.02505132, 0 ], [ 3.17768005, 7.88158668, 0 ], [ 0, 0, 4.90497426 ] ]

agm005519552

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

[ "Re", "Re", "Re", "Re", "Re", "Re", "Os", "Os", "Os", "Os", "Os", "Os", "Os", "Os", "Os", "Os" ]

2023-11-16 06:57:59

[ 0.625, 0.375 ]

[ [ 9.964909, -0.37092376, 0 ], [ -0.37092292, 41.799328, 0 ], [ 0, 0, 14.549975 ] ]

-180.016366

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0.000002

11.430882

pbe

true

0cd9c82d3089c82ad6cfd9e02894d49d_63_Re6Os10

[ "Al", "Pb", "Sn" ]

4

A2BC

AlPbSn2

Al1 Sn2 Pb1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.75580522, 3.75580522 ], [ 3.75580522, 0, 3.75580522 ], [ 3.75580522, 3.75580522, 0 ] ]

agm002634967

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

[ "Pb", "Sn", "Sn", "Al" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 4.8000774, 0, 0 ], [ 0, 4.8000774, 0 ], [ 0, 0, 4.8000774 ] ]

-14.665658

[ 0, 0, 0, 0 ]

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

0

2.164346

pbe

true

66396aed832150264c16a0cf42a521f3_225_Al1Sn2Pb1

[ "Br", "I", "Rb" ]

11

A8B2C

Br8IRb2

Rb2 I1 Br8

3

[ 1, 1, 1 ]

3

[ [ 5.71039138, -0.88572382, -2.5088065 ], [ -1.78296668, 7.83750296, -5.27788293 ], [ -0.46214532, -2.2042189, 13.99743343 ] ]

agm005988380

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

[ "Rb", "Rb", "I", "Br", "Br", "Br", "Br", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.7272727272727273, 0.09090909090909091, 0.18181818181818182 ]

[ [ 0.49240363, -0.07130319, -0.07213687 ], [ -0.07130342, 0.4938984, -0.07493153 ], [ -0.07213681, -0.07493155, 0.4259012 ] ]

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0

5.632216

pbe

true

a802108577494c5c3430e00f8dab8095_2_Rb2I1Br8

[ "Ce", "N", "Tb" ]

8

A4B3C

CeN4Tb3

Tb3 Ce1 N4

3

[ 1, 1, 1 ]

3

[ [ 3.51676104, 0, 0 ], [ 0, 6.07394192, -0.04998852 ], [ 0, -1.96241169, 5.74840931 ] ]

agm003561036

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

[ "Tb", "Tb", "Tb", "Ce", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.125, 0.5, 0.375 ]

[ [ 0.7635547, 0, 0 ], [ 0, 0.74293137, -0.00994837 ], [ 0, -0.00994837, 0.7363213 ] ]

-66.135604

[ 0.002, 0.002, 0.002, 0.061, -0.002, -0.001, -0.002, -0.001 ]

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0.070256

3.215452

pbe

true

bd3d4c6745cae2194121d9aac8fe88c5_65_Tb3Ce1N4

[ "Cl", "Sc", "W" ]

4

A2BC

ClSc2W

Sc2 W1 Cl1

3

[ 1, 1, 1 ]

3

[ [ 5.50870109, 0.00268803, 0.00724208 ], [ 1.5948321, 5.27278918, -0.00724208 ], [ -2.47442287, -4.08840574, 2.74007619 ] ]

agm004296636

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

[ "Cl", "Sc", "Sc", "W" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 2.1668506, -0.06489361, 0.08331893 ], [ -0.06489361, 2.2060378, -0.11219264 ], [ 0.08331893, -0.11219264, 2.0707967 ] ]

-26.538617

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0.00103841, 0.00077118, 0 ], [ -0.00103841, -0.00077118, 0 ], [ 0, 0, 0 ] ]

-0.000055

4.745843

pbe

true

37d74be6eaa7ce0ce14197e9ef2d17c9_71_Sc2W1Cl1

[ "Co", "P", "Pu" ]

14

A3B2C2

Co2P3Pu2

Pu4 Co4 P6

3

[ 1, 1, 1 ]

3

[ [ 3.66384434, -2e-8, 0.81213785 ], [ 1.65925171, 7.16456888, 1.18504357 ], [ -0.07825904, 0.12093334, 9.02357682 ] ]

agm005554993

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

[ "Pu", "Pu", "Pu", "Pu", "Co", "Co", "Co", "Co", "P", "P", "P", "P", "P", "P" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.42857142857142855, 0.2857142857142857 ]

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-130.328724

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20.911613

31.020645

pbe

true

8e276df0859d10ebdb2537b16d1f92ec_12_Pu4Co4P6

[ "Dy", "Nd", "Tm" ]

9

A4B4C

Dy4Nd4Tm

Nd4 Dy4 Tm1

3

[ 1, 1, 1 ]

3

[ [ 5.06829569, 0, 0 ], [ 2.53414785, 7.64039727, -8e-8 ], [ 2.53414785, 8e-8, 7.64039726 ] ]

agm003597092

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

[ "Nd", "Nd", "Nd", "Nd", "Dy", "Dy", "Dy", "Dy", "Tm" ]

2023-11-16 06:57:59

[ 0.4444444444444444, 0.4444444444444444, 0.1111111111111111 ]

[ [ 1.087175, 0, 0 ], [ 0, 1.174942, -4e-8 ], [ 0, 4e-8, 1.174942 ] ]

-41.793094

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

[ [ 0, -0.00025683, -0.0025534 ], [ 0, 0.00025683, 0.0025534 ], [ 0, 0.0025534, -0.00025683 ], [ 0, -0.0025534, 0.00025683 ], [ 0, 0.00327599, 0.00191706 ], [ 0, -0.00327599, -0.00191706 ], [ 0, -0.00191706, 0.00327599 ], [ 0, 0.00191706, -0.00327599 ], [ 0, 0, 0 ] ]

0.000013

12.937246

pbe

true

51c5cd3fdb7cf455ab01b34e763000c6_139_Nd4Dy4Tm1

[ "Dy", "Tb", "Y" ]

8

A4B3C

Dy3TbY4

Tb1 Y4 Dy3

3

[ 1, 1, 1 ]

3

[ [ 5.51921603, -2.8e-7, -1.10012348 ], [ -0.06550135, 3.54008776, -0.32861157 ], [ -0.20100294, 1.24555389, 13.38630269 ] ]

agm005909092

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

[ "Y", "Y", "Y", "Y", "Tb", "Dy", "Dy", "Dy" ]

2023-11-16 06:57:59

[ 0.375, 0.125, 0.5 ]

[ [ 1.527438, -0.00696918, -0.00405756 ], [ -0.00696917, 1.6362269, -0.03496246 ], [ -0.00405756, -0.03496251, 1.5078856 ] ]

-42.621815

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

[ [ 0.00082814, 0.00115655, 0.00415467 ], [ -0.00082814, -0.00115655, -0.00415467 ], [ -0.00045361, 0.00270417, -0.00227572 ], [ 0.00045361, -0.00270417, 0.00227572 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00034896, 0.00340839, -0.00175071 ], [ 0.00034896, -0.00340839, 0.00175071 ] ]

0.000002

12.033149

pbe

true

1a829a222f3554730d9231fc914ebf99_65_Tb1Y4Dy3

[ "Eu", "Gd", "Y" ]

4

A2BC

EuGdY2

Eu1 Gd1 Y2

3

[ 1, 1, 1 ]

3

[ [ 5.10001906, 0, 0 ], [ 0, 5.1446915, 0 ], [ 0, 0, 5.1446915 ] ]

agm001230669

[ [ 2.55000953, 2.57234575, 2.57234575 ], [ 0, 0, 2.57234575 ], [ 0, 2.57234575, 0 ], [ 2.55000953, 0, 0 ] ]

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

[ "Eu", "Y", "Y", "Gd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 1.4138765, 0, 0 ], [ 0, 1.9491516, 0 ], [ 0, 0, 1.9491516 ] ]

-36.907154

[ -6.825, -0.01, -0.01, 7.16 ]

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

0.246444

7.587703

pbe

true

5824544a69b11afc37e2b914f4017030_123_Eu1Gd1Y2

[ "Hf", "Mg", "Sc" ]

11

A8B2C

Hf2MgSc8

Hf2 Mg1 Sc8

3

[ 1, 1, 1 ]

3

[ [ 4.33042493, 5e-8, -1.24482869 ], [ -0.69053601, 6.83680143, -2.40218979 ], [ 0.11988426, 0.6723374, 8.57164992 ] ]

agm005971373

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

[ "Hf", "Hf", "Mg", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc", "Sc" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.09090909090909091, 0.7272727272727273 ]

[ [ 3.4329903, 0.00689495, -0.01444916 ], [ 0.00689518, 3.3508716, 0.02398579 ], [ -0.01444916, 0.02398499, 3.386878 ] ]

-71.775827

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

[ [ 0.00000297, -0.00082342, 0.00001033 ], [ -0.00000297, 0.00082342, -0.00001033 ], [ 0, 0, 0 ], [ -0.00034396, -0.00013347, -0.00119653 ], [ 0.00098408, -0.00115915, 0.00342335 ], [ 0.00074907, -0.00385245, 0.00260582 ], [ -0.00015534, 0.00090485, -0.00054039 ], [ -0.00074907, 0.00385245, -0.00260582 ], [ -0.00098408, 0.00115915, -0.00342335 ], [ 0.00034396, 0.00013347, 0.00119653 ], [ 0.00015534, -0.00090485, 0.00054039 ] ]

0.000039

19.430714

pbe

true

304845e123bd357818ce40b0987956d3_12_Hf2Mg1Sc8

[ "I", "La", "Sc" ]

9

A6B2C

I6La2Sc

La2 Sc1 I6

3

[ 1, 1, 1 ]

3

[ [ 4.22133912, 0, 0 ], [ -2.11066962, 11.36074862, 0 ], [ 0, 0, 19.72754573 ] ]

agm2000133648

[ [ -1.7663746787035553e-8, 3.344556451368824, 10.341843106304356 ], [ 2.11066949655705, 8.016192282238663, 9.3857028209711 ], [ 2.110669581106695, 1.1360748620000001e-7, 9.863772865 ], [ -6.891897527450491e-8, 9.053054862615065, 11.621790932698918 ], [ 2.110669568918975, 2.3076937573849357, 8.10575479730108 ], [ -5.1978409740628555e-8, 5.845429741578073, 8.073383275686352 ], [ 2.1106695730851057, 5.515318764814441, 11.65416245431365 ], [ 2.110669572226095, 1.6815045168536862, 12.227545740986129 ], [ -1.1443948607174568e-7, 9.679244103146313, 7.499999989013871 ] ]

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

[ "La", "La", "Sc", "I", "I", "I", "I", "I", "I" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.2222222222222222, 0.1111111111111111 ]

[ [ 0.29550368, 0, 0 ], [ 0, 0.29403007, 0.01696987 ], [ 0, 0.01696989, -0.08159255 ] ]

-36.88526

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

[ [ 0, -0.00319298, -0.00589539 ], [ 0, 0.00319298, 0.00589539 ], [ 0, 0, 0 ], [ 0, 0.0039919, 0.0000396 ], [ 0, -0.0039919, -0.0000396 ], [ 0, -0.00258903, 0.00167537 ], [ 0, 0.00258903, -0.00167537 ], [ 0, -0.00182386, -0.00326977 ], [ 0, 0.00182386, 0.00326977 ] ]

-0.001808

6.482916

pbe

true

885344c90dfa3b88242c900be5fc71dd_12_La2Sc1I6

[ "In", "Pd", "Pm" ]

7

A5BC

In5PdPm

Pm1 In5 Pd1

3

[ 1, 1, 1 ]

3

[ [ 4.76329145, 0, 0 ], [ 0, 4.76329145, 0 ], [ 0, 0, 7.5197161 ] ]

agm003762030

[ [ 0, 0, 0 ], [ 2.381645725, 0, 5.277813734572223 ], [ 0, 2.381645725, 5.277813734572223 ], [ 2.381645725, 2.381645725, 0 ], [ 0, 2.381645725, 2.241902365427777 ], [ 2.381645725, 0, 2.241902365427777 ], [ 0, 0, 3.75985805 ] ]

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

[ "Pm", "In", "In", "In", "In", "In", "Pd" ]

2023-11-16 06:57:59

[ 0.7142857142857143, 0.14285714285714285, 0.14285714285714285 ]

[ [ 4.926083, 0, 0 ], [ 0, 4.926083, 0 ], [ 0, 0, 5.077329 ] ]

-26.682825

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

[ [ 0, 0, 0 ], [ 0, 0, -0.00214209 ], [ 0, 0, -0.00214209 ], [ 0, 0, 0 ], [ 0, 0, 0.00214209 ], [ 0, 0, 0.00214209 ], [ 0, 0, 0 ] ]

0

3.7507

pbe

true

d5eecbd37fccd1b0c1effed6bd31ec88_123_Pm1In5Pd1

[ "In", "Sc", "Se" ]

10

A3BC

InScSe3

Sc2 In2 Se6

3

[ 1, 1, 1 ]

3

[ [ 3.91580547, 0, 0 ], [ 0, 6.94508122, 0 ], [ -1.95790274, 0, 10.14928881 ] ]

agm003707833

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

[ "Sc", "Sc", "In", "In", "Se", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 1.8705407, 0, 0 ], [ 0, 1.7252265, 0 ], [ 0, 0, 1.7826338 ] ]

-49.61591

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

[ [ 0, 0.00181625, 0.0078828 ], [ 0, 0.00181625, -0.0078828 ], [ 0, -0.00421693, 0.00002558 ], [ 0, -0.00421693, -0.00002558 ], [ 0, -0.00120041, 0.00296141 ], [ 0, -0.00120041, -0.00296141 ], [ 0, 0.00087153, 0.00259138 ], [ 0, 0.00087153, -0.00259138 ], [ 0, 0.00272956, -0.00075352 ], [ 0, 0.00272956, 0.00075352 ] ]

-0

-0.065085

pbe

true

a27f4a25b00581011dc18ddae636beef_36_Sc2In2Se6

[ "Mg", "Th", "Zn" ]

7

A4B2C

Mg2ThZn4

Th1 Mg2 Zn4

3

[ 1, 1, 1 ]

3

[ [ 4.36858497, -3e-8, -0.99603001 ], [ -0.18523096, 3.47759915, -0.81242516 ], [ -0.1630599, 0.34006852, 9.36313697 ] ]

agm005937457

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

[ "Th", "Mg", "Mg", "Zn", "Zn", "Zn", "Zn" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.14285714285714285, 0.5714285714285714 ]

[ [ 2.5829234, 0.03679573, -0.02330782 ], [ 0.03679573, 1.829547, 0.16138475 ], [ -0.02330782, 0.16138475, 2.4860098 ] ]

-16.78898

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

[ [ 0, 0, 0 ], [ -0.00113276, -0.001221, -0.00496826 ], [ 0.00113276, 0.001221, 0.00496826 ], [ 0.00153581, 0.00165546, 0.00673606 ], [ -0.00153581, -0.00165546, -0.00673606 ], [ 0.00042486, 0.00045796, 0.00186345 ], [ -0.00042486, -0.00045796, -0.00186345 ] ]

-0

2.805921

pbe

true

3977e099dbf9699c62a9c02282f0f7d8_71_Th1Mg2Zn4

[ "Rb", "Ta", "Tl" ]

5

A3BC

RbTaTl3

Rb1 Ta1 Tl3

3

[ 1, 1, 1 ]

3

[ [ 6.06779029, 0, 0 ], [ 0, 6.06779029, 0 ], [ 0, 0, 6.06779029 ] ]

agm002577059

[ [ 0, 3.033895145, 0 ], [ 0, 0, 3.033895145 ], [ 3.033895145, 0, 0 ], [ 0, 0, 0 ], [ 3.033895145, 3.033895145, 3.033895145 ] ]

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

[ "Tl", "Tl", "Tl", "Rb", "Ta" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 1.6311976, 0, 0 ], [ 0, 1.6311976, 0 ], [ 0, 0, 1.6311976 ] ]

-10.440964

[ -0.028, -0.015, -0.042, -0.028, 2.247 ]

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

3.137924

6.540267

pbe

true

9cbd47c83677afe2d7eab696c44383e5_221_Rb1Ta1Tl3

[ "Ca", "Cl", "La", "N" ]

7

A2B2C2D

Ca2Cl2LaN2

Ca2 La1 N2 Cl2

4

[ 1, 1, 1 ]

3

[ [ 4.58858673, 0, 0 ], [ 0, 4.58858673, 0 ], [ -2.29429337, -2.29429336, 7.22903794 ] ]

agm004543681

[ [ -0.000002321158385807857, 0.000002275272518358938, 5.670583362267294 ], [ 2.294295681158386, 2.2942910947274817, 1.558454577732706 ], [ 0, 0, 0 ], [ 0, 2.294293365, 0 ], [ 2.294293365, 0, 0 ], [ 2.0943383990401887e-8, 2.494248326609748e-8, 2.8909640565527446 ], [ 2.2942933390566167, 2.2942933450575174, 4.338073883447256 ] ]

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

[ "Ca", "Ca", "La", "N", "N", "Cl", "Cl" ]

2023-11-16 06:57:59

[ 0.2857142857142857, 0.2857142857142857, 0.14285714285714285, 0.2857142857142857 ]

[ [ 0.21200661, 0, 0 ], [ 0, 0.21200661, 0 ], [ 0, 0, 0.44911832 ] ]

-38.786418

[ -0.002, -0.002, 0.078, 0.111, 0.111, 0, 0 ]

[ [ 0, 0, 0.00034733 ], [ 0, 0, -0.00034733 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00342447 ], [ 0, 0, 0.00342447 ] ]

0.355751

2.10394

pbe

true

43ec43189d44631e3daceecb781729ff_139_Ca2La1N2Cl2

[ "Ca", "O", "Pm", "Tc" ]

12

A8B2CD

CaO8Pm2Tc

Ca1 Pm2 Tc1 O8

4

[ 1, 1, 1 ]

3

[ [ 5.0877703, 0.08371648, -0.05106994 ], [ 0.06943037, 4.47922509, 0.54083747 ], [ -0.01850712, 0.79525644, 7.01046711 ] ]

agm004906080

[ [ -0.00925356, 0.39762822, 3.505233555 ], [ 2.6018741522751374, 2.4051102937201017, 5.684066503311553 ], [ 2.5368193977248623, 2.953087716279898, 1.8161681366884472 ], [ 0, 0, 0 ], [ 5.096007352818626, 3.4357029388133387, 2.1011006678229043 ], [ 3.5907747368876994, 4.531554898051569, 6.72749200594549 ], [ 4.002760630261568, 1.2952643147796237, 0.8161957861820062 ], [ 0.0426861971813737, 1.922495071186661, 5.399133972177096 ], [ 1.5479188131123005, 0.8266431119484313, 0.7727426340545096 ], [ 1.1359329197384318, 4.0629336952203765, 6.684038853817993 ], [ 2.5558644493385154, 3.899506118083904, 3.9143855613876015 ], [ 2.5828291006614843, 1.4586918919160956, 3.585849078612398 ] ]

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

[ "Ca", "Pm", "Pm", "Tc", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.08333333333333333, 0.6666666666666666, 0.16666666666666666, 0.08333333333333333 ]

[ [ 0.82449716, 0.03154102, 0.05977368 ], [ 0.03154103, 0.85747, -0.02434429 ], [ 0.05977386, -0.02434431, 0.86857426 ] ]

-88.754426

[ 0.001, 0.002, 0.002, 0.178, 0.01, 0.009, -0.005, 0.01, 0.009, -0.005, 0.003, 0.003 ]

[ [ 0, 0, 0 ], [ 0.00024575, -0.0002695, -0.00492011 ], [ -0.00024575, 0.0002695, 0.00492011 ], [ 0, 0, 0 ], [ 0.00003906, 0.00265991, -0.0004872 ], [ 0.00114232, 0.00024381, -0.00012995 ], [ 0.00119479, 0.00253278, -0.00263935 ], [ -0.00003906, -0.00265991, 0.0004872 ], [ -0.00114232, -0.00024381, 0.00012995 ], [ -0.00119479, -0.00253278, 0.00263935 ], [ -0.00348327, 0.00120705, 0.00180518 ], [ 0.00348327, -0.00120705, -0.00180518 ] ]

0.241961

2.065768

pbe

true

769d965915525be900c833942e64a71e_2_Ca1Pm2Tc1O8

[ "Cs", "La", "S", "Si" ]

14

A4BCD

CsLaS4Si

Cs2 La2 Si2 S8

4

[ 1, 1, 1 ]

3

[ [ 6.64104085, 0, -0.12230149 ], [ 0, 6.75709999, 0 ], [ -2.76429728, 0, 9.17412356 ] ]

agm005051935

[ [ 2.2308700324498316, 5.0678249925, 8.485890539641513 ], [ 1.6458735375501687, 1.6892749975, 0.5659315303584873 ], [ 3.8372492005518715, 5.0678249925, 4.061297557914151 ], [ 0.03949436944812919, 1.6892749975, 4.990524512085849 ], [ 0.47987788648120566, 5.0678249925, 3.0093487466857174 ], [ 3.3968656835187945, 1.6892749975, 6.042473323314282 ], [ 4.69315550678471, 3.3682343358712665, 6.341221388907146 ], [ -0.8164119367847104, 6.746784330871266, 2.710600681092855 ], [ -0.8164119367847104, 3.388865654128734, 2.710600681092855 ], [ 4.69315550678471, 0.0103156591287336, 6.341221388907146 ], [ 2.1415781346107323, 5.0678249925, 1.6999772934540835 ], [ 1.7351654353892687, 1.6892749975, 7.351844776545916 ], [ 1.0926356592961575, 5.0678249925, 5.057682896269114 ], [ 2.7841079107038422, 1.6892749975, 3.9941391737308867 ] ]

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

[ "Cs", "Cs", "La", "La", "Si", "Si", "S", "S", "S", "S", "S", "S", "S", "S" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.14285714285714285, 0.5714285714285714, 0.14285714285714285 ]

[ [ 0.02622469, 0, -0.01465824 ], [ 0, 0.01678658, 0 ], [ -0.01465824, 0, -0.10375031 ] ]

-76.531229

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

[ [ 0.00410077, 0, 0.00106334 ], [ -0.00410077, 0, -0.00106334 ], [ -0.00102059, 0, -0.00048574 ], [ 0.00102059, 0, 0.00048574 ], [ -0.00242467, 0, 0.0010233 ], [ 0.00242467, 0, -0.0010233 ], [ -0.00590835, -0.0034289, -0.00461925 ], [ 0.00590835, -0.0034289, 0.00461925 ], [ 0.00590835, 0.0034289, 0.00461925 ], [ -0.00590835, 0.0034289, -0.00461925 ], [ -0.00139849, 0, 0.0030738 ], [ 0.00139849, 0, -0.0030738 ], [ -0.00072696, 0, -0.0062482 ], [ 0.00072696, 0, 0.0062482 ] ]

0

pbe

true

df6a9cec04e53d23a8ba003be6d068ce_11_Cs2La2Si2S8

[ "Lu", "Mg", "Nd", "Pb" ]

4

ABCD

LuMgNdPb

Nd1 Lu1 Mg1 Pb1

4

[ 1, 1, 1 ]

3

[ [ 5.39548526, 0, 0 ], [ 2.69774263, 4.6726273, 0 ], [ 2.69774263, 1.55754243, 4.40539527 ] ]

agm001400360

[ [ 5.39548526, 3.115084865, 2.202697635 ], [ 0, 0, 0 ], [ 2.69774263, 1.5575424325, 1.1013488175 ], [ 8.09322789, 4.6726272975, 3.3040464524999997 ] ]

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

[ "Pb", "Mg", "Lu", "Nd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 2.1390433, 0, 0 ], [ 0, 2.1390433, 0 ], [ 0, 0, 2.1390433 ] ]

-15.608415

[ 0, 0, 0, 0 ]

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

-0.000108

4.027882

pbe

true

5e30bbc446a7f2cf116774754ce8e58c_216_Nd1Lu1Mg1Pb1

[ "Ce", "Se" ]

6

A5B

Ce5Se

Ce5 Se1

2

[ 1, 1, 1 ]

3

[ [ 4.48224381, 0, 0 ], [ 0, 4.60034387, 0 ], [ 0, -2.30017193, 7.19722583 ] ]

agm001193036

[ [ 0, 0, 0 ], [ 2.241121905, 2.3001719383857315, 4.873575704716028 ], [ 0, 2.300169613381105, 2.2379908306508023 ], [ 2.241121905, 2.300171935, 0 ], [ 0, 0.0000023266188948748457, 4.9592349993491975 ], [ 2.241121905, 1.614267855369838e-9, 2.323650125283971 ] ]

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

[ "Se", "Ce", "Ce", "Ce", "Ce", "Ce" ]

2023-11-16 06:57:59

[ 0.8333333333333334, 0.16666666666666666 ]

[ [ 4.4813285, 0, 0 ], [ 0, 4.42115, 0 ], [ 0, 0, 4.4164176 ] ]

-35.37189

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

[ [ 0, 0, 0 ], [ 0, 0, 0.0020448 ], [ 0, 0, 0.00410384 ], [ 0, 0, 0 ], [ 0, 0, -0.00410384 ], [ 0, 0, -0.0020448 ] ]

0.001102

17.683252

pbe

true

20ce019461f2b99e11c48f1bbf82091c_65_Ce5Se1

[ "Ac", "Nd", "Pr" ]

4

A2BC

AcNd2Pr

Ac1 Pr1 Nd2

3

[ 1, 1, 1 ]

3

[ [ 3.68057856, 0, 0 ], [ 1.84028928, 3.18747454, 0 ], [ 1.84028928, 1.06249151, 13.01585225 ] ]

agm001977016

[ [ 0, 0, 0 ], [ 3.68057856, 2.124983025, 6.507926125 ], [ 1.8402911386921728, 1.0624925839980899, 9.5731801552386 ], [ 5.520865981307827, 3.1874734660019106, 3.4426720947614005 ] ]

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

[ "Pr", "Ac", "Nd", "Nd" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.0424403, 0, 0 ], [ 0, 1.0424403, 0 ], [ 0, 0, 1.0519803 ] ]

-17.678464

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.0056216 ], [ 0, 0, -0.0056216 ] ]

0.000591

7.382373

pbe

true

f41e44d6420cb6ffaa56a1af9b3be38a_166_Ac1Pr1Nd2

[ "Ag", "K", "Mg" ]

4

A2BC

AgKMg2

K1 Mg2 Ag1

3

[ 1, 1, 1 ]

3

[ [ 6.78413384, 0.01137055, 0.02524026 ], [ 6.02319385, 3.12181632, 0.02524026 ], [ 2.44504051, 0.59815514, 5.18760462 ] ]

agm004169980

[ [ 3.8130920500000003, 0.9328355025000001, 1.309521285 ], [ 11.439276150000001, 2.7985065075, 3.928563855 ], [ 12.322671158650703, 3.014620412250148, 0.291036009920448 ], [ 8.110840631349296, 1.9842374627498522, 2.378487080079552 ] ]

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

[ "Ag", "K", "Mg", "Mg" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 2.2869034, -0.09167976, -0.27221742 ], [ -0.09167976, 2.6392283, -0.06659532 ], [ -0.27221757, -0.06659535, 1.0640852 ] ]

-6.846374

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.0065798, -0.00160968, 0.01461216 ], [ 0.0065798, 0.00160968, -0.01461216 ] ]

-0.000013

1.412097

pbe

true

85ab9e64c1dec127f65669feb9c835e6_12_K1Mg2Ag1

[ "Al", "Fe", "Nd" ]

4

A2BC

AlFe2Nd

Nd1 Al1 Fe2

3

[ 1, 1, 1 ]

3

[ [ 4.22538939, 0.00110003, 0.00029252 ], [ 2.11389694, 5.03397154, -0.44254 ], [ 2.11324439, 1.19213085, 3.45932465 ] ]

agm002367166

[ [ 2.1131329041745115, 1.556765305774381, 0.7542752126080886 ], [ 2.113203295434912, 4.172132998703742, -0.146217878139669 ], [ 4.226960254906523, 3.975365238693824, 1.2122300376280435 ], [ 6.339398646164973, 4.670374266317871, 2.262811155800247 ] ]

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

[ "Nd", "Fe", "Fe", "Al" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 3.5172677, -0.01107425, -0.04618408 ], [ -0.01106335, 3.5553906, 0.00831053 ], [ -0.04618783, 0.00830387, 3.568082 ] ]

-25.904514

[ -0.201, 1.855, 1.855, -0.043 ]

[ [ 3.4e-7, -6e-7, 4.1e-7 ], [ 0.00090263, 0.00088922, 0.00024498 ], [ -0.00090374, -0.00085554, -0.00025726 ], [ 7.7e-7, -0.00003308, 0.00001186 ] ]

3.207205

3.520217

pbe

true

b955bf49e2d5ae6ed64aa6a84eef8d47_166_Nd1Al1Fe2

[ "As", "Bi", "Tm" ]

12

A3B2C

As2BiTm3

Tm6 Bi2 As4

3

[ 1, 1, 1 ]

3

[ [ 5.0835493, 0, 0 ], [ -2.54177465, 6.10692841, 0 ], [ 0, 0, 9.91919001 ] ]

agm005759236

[ [ 2.5417771917746497, 1.5717941501288444, 0.4263705302577441 ], [ -0.000002541774649990868, 1.237656859917036, 7.439392507499999 ], [ 2.5417771917746497, 1.5717941501288444, 4.533234393932266 ], [ 2.54177719177465, 4.869271550082964, 2.4797975025 ], [ -0.0000025417746500812263, 4.535134259871156, 9.492819479742256 ], [ -0.0000025417746500812263, 4.535134259871156, 5.385955616067735 ], [ 0.0000025671923964806663, 2.6030621735407817, 2.4797975025 ], [ 2.541772082807603, 3.5038662364592184, 7.439392507499999 ], [ 0, 0, 0 ], [ 0, 0, 4.959595005 ], [ -2.5417746415256812e-8, 5.741693113592369, 2.4797975025 ], [ 2.5417746754177464, 0.3652352964076311, 7.439392507499999 ] ]

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

[ "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Bi", "Bi", "As", "As", "As", "As" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.16666666666666666, 0.5 ]

[ [ 0.3515572, 0, 0 ], [ 0, 0.31490007, 0 ], [ 0, 0, 0.36744723 ] ]

-63.276562

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

[ [ 0, -0.00050406, -0.00067738 ], [ 0, -0.00124395, 0 ], [ 0, -0.00050406, 0.00067738 ], [ 0, 0.00124395, 0 ], [ 0, 0.00050406, 0.00067738 ], [ 0, 0.00050406, -0.00067738 ], [ 0, 0.0030471, 0 ], [ 0, -0.0030471, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00291741, 0 ], [ 0, -0.00291741, 0 ] ]

0

4.522698

pbe

true

947adce7bb8667769f11343b4257c0cb_63_Tm6Bi2As4

[ "As", "Ca", "Sr" ]

8

A2BC

AsCaSr2

Sr4 Ca2 As2

3

[ 1, 1, 1 ]

3

[ [ 11.16084139, 0, 0 ], [ 0, 11.16084139, 0 ], [ 5.5804207, 5.5804207, 2.89705722 ] ]

agm002811110

[ [ 9.939521790392103, 2.79021034875, 0.724264305 ], [ 12.382160992107895, 8.37063104375, 0.724264305 ], [ 8.37063104625, 6.801740299607896, 2.172792915 ], [ 13.95105174125, 4.359101097892104, 2.172792915 ], [ 0, 0, 0 ], [ 11.1608413925, 5.5804206975, 1.44852861 ], [ 5.580420695, 5.580420695, 0 ], [ 5.5804206975, 11.1608413925, 1.44852861 ] ]

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

[ "Sr", "Sr", "Sr", "Sr", "As", "As", "Ca", "Ca" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 0.49275407, 0, 0 ], [ 0, 0.49275407, 0 ], [ 0, 0, 0.47204557 ] ]

-23.798726

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

[ [ -0.00192212, 0, 0 ], [ 0.00192212, 0, 0 ], [ 0, 0.00192212, 0 ], [ 0, -0.00192212, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000304

10.980133

pbe

true

338d1856b2e230e4e3272430d4e073ab_122_Sr4Ca2As2

[ "As", "Mg", "Pt" ]

5

A3BC

AsMgPt3

Mg1 As1 Pt3

3

[ 1, 1, 1 ]

3

[ [ 4.68003174, 0, 0 ], [ 0, 4.68003174, 0 ], [ 0, 0, 4.68003174 ] ]

agm002518643

[ [ 0, 0, 0 ], [ 2.34001587, 2.34001587, 2.34001587 ], [ 0, 2.34001587, 0 ], [ 0, 0, 2.34001587 ], [ 2.34001587, 0, 0 ] ]

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

[ "As", "Mg", "Pt", "Pt", "Pt" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.6 ]

[ [ 4.469061, 0, 0 ], [ 0, 4.469061, 0 ], [ 0, 0, 4.469061 ] ]

-23.993697

[ 0, 0, 0, 0.001, 0 ]

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

0

4.149373

pbe

true

c8eeffd9536d92bf10955f27462beae3_221_Mg1As1Pt3

[ "As", "Sb", "Sn" ]

4

A2BC

AsSb2Sn

Sn1 Sb2 As1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.70236216, 3.70236216 ], [ 3.70236216, 0, 3.70236216 ], [ 3.70236216, 3.70236216, 0 ] ]

agm002637403

[ [ 1.85118108, 1.85118108, 1.85118108 ], [ 5.55354324, 5.55354324, 5.55354324 ], [ 0, 0, 0 ], [ 3.70236216, 3.70236216, 3.70236216 ] ]

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

[ "Sb", "Sb", "As", "Sn" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 0.09067536, 0, 0 ], [ 0, 0.09067536, 0 ], [ 0, 0, 0.09067536 ] ]

-15.812967

[ 0, 0, 0, 0 ]

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

0

3.440879

pbe

true

a35e3bed8b1e804d6a1d2e2ab6845cb2_225_Sn1Sb2As1

[ "Cl", "Mg", "Sr" ]

6

A4BC

ClMg4Sr

Sr1 Mg4 Cl1

3

[ 1, 1, 1 ]

3

[ [ 0, 4.4595924, 4.4595924 ], [ 4.4595924, 0, 4.4595924 ], [ 4.4595924, 4.4595924, 0 ] ]

agm005475607

[ [ 6.6893886, 6.6893886, 6.6893886 ], [ 3.35728774297836, 5.561897101617564, 5.561897101617564 ], [ 5.561897101617564, 5.561897101617564, 3.35728774297836 ], [ 5.561897101617564, 3.35728774297836, 5.561897101617564 ], [ 3.35728774297836, 3.35728774297836, 3.35728774297836 ], [ 0, 0, 0 ] ]

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

[ "Sr", "Mg", "Mg", "Mg", "Mg", "Cl" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.6666666666666666, 0.16666666666666666 ]

[ [ 0.6482144, 0, 0 ], [ 0, 0.6482144, 0 ], [ 0, 0, 0.6482144 ] ]

-10.784847

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

[ [ 0, 0, 0 ], [ 0.00486559, -0.00486559, -0.00486559 ], [ -0.00486559, -0.00486559, 0.00486559 ], [ -0.00486559, 0.00486559, -0.00486559 ], [ 0.00486559, 0.00486559, 0.00486559 ], [ 0, 0, 0 ] ]

-0.000002

2.307391

pbe

true

25ef36404fadfd74c08e797328bf9559_216_Sr1Mg4Cl1

[ "Ge", "Nd", "Pd" ]

13

A8B4C

Ge8Nd4Pd

Nd4 Ge8 Pd1

3

[ 1, 1, 1 ]

3

[ [ 4.08483222, 0, 0 ], [ 0, 4.21531253, 0 ], [ 0, 0, 17.10670122 ] ]

agm006080781

[ [ 0, 0, 1.7255575708707296 ], [ 0, 2.107656265, 10.433484846295688 ], [ 2.04241611, 2.107656265, 6.831798915353959 ], [ 2.04241611, 0, 15.273271528308147 ], [ 0, 0, 7.956607116254997 ], [ 0, 2.107656265, 16.180104773727848 ], [ 2.04241611, 2.107656265, 0.6789384560349091 ], [ 2.04241611, 0, 9.522608432042638 ], [ 0, 2.107656265, 4.031016574934337 ], [ 0, 0, 12.803895771020475 ], [ 2.04241611, 0, 4.0127881873153415 ], [ 2.04241611, 2.107656265, 12.909035096321706 ], [ 0, 0, 5.464447798947468 ] ]

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

[ "Nd", "Nd", "Nd", "Nd", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Ge", "Pd" ]

2023-11-16 06:57:59

[ 0.6153846153846154, 0.3076923076923077, 0.07692307692307693 ]

[ [ 2.7206726, 0, 0 ], [ 0, 3.0402544, 0 ], [ 0, 0, 2.6703882 ] ]

-69.646636

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

[ [ 0, 0, -0.00181595 ], [ 0, 0, -0.0046371 ], [ 0, 0, -0.00133303 ], [ 0, 0, -0.00112109 ], [ 0, 0, -0.01271075 ], [ 0, 0, 0.01013199 ], [ 0, 0, 0.01314105 ], [ 0, 0, 0.01381877 ], [ 0, 0, 0.00249348 ], [ 0, 0, -0.01450807 ], [ 0, 0, 0.00722119 ], [ 0, 0, -0.01059724 ], [ 0, 0, -0.00008326 ] ]

-0

6.168691

pbe

true

69c3bb62358f79c6d11f5b55e95075d8_25_Nd4Ge8Pd1

[ "Ho", "Nd", "Pm" ]

16

A5B2C

Ho2Nd5Pm

Pm2 Nd10 Ho4

3

[ 1, 1, 1 ]

3

[ [ 6.48906994, -2.19290056, -0.99457494 ], [ -7.31661897, 11.88665952, 1.35080412 ], [ -2.44327048, 0.84440636, 9.39242714 ] ]

agm005857183

[ [ -0.7886085801418067, 5.953132438863574, 7.206644469485721 ], [ -2.482210929858192, 4.585032881136425, 2.542011850514279 ], [ -5.6463983722405455, 9.928260872121852, 1.2573699929897693 ], [ -7.251804652422644, 11.698120271478862, 7.166189934018931 ], [ -3.3471114940588307, 7.206663549886667, 4.973020367746076 ], [ -2.523992516733953, 8.078977306651407, 1.4947998281335582 ], [ 0.9050282253581439, 0.7004499657763943, 2.351243292131409 ], [ -4.175847735358143, 9.837715354223606, 7.397413027868592 ], [ 0.07629198405883107, 3.3315017701133334, 4.775635952253924 ], [ -0.7468269932660471, 2.4591880133485926, 8.253856491866442 ], [ 2.3755788622405456, 0.6099044478781485, 8.491286327010231 ], [ 3.980985142422644, -1.1599549514788619, 2.58246638598107 ], [ 0.03250799998163093, 6.838629284950433, 3.729968796991327 ], [ 0.8597272440299856, 4.227633229256104, 1.2947715846563543 ], [ -3.3033275099816306, 3.6995360350495665, 6.018687523008674 ], [ -4.130546754029985, 6.310532090743895, 8.453884735343646 ] ]

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

[ "Pm", "Pm", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Ho", "Ho", "Ho", "Ho" ]

2023-11-16 06:57:59

[ 0.25, 0.625, 0.125 ]

[ [ 1.1071566, -0.01667513, -0.02571149 ], [ -0.0166749, 1.1881405, -0.00549412 ], [ -0.02571158, -0.00549433, 1.1940802 ] ]

-75.028788

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

[ [ -0.00126449, -0.00046292, -0.00369553 ], [ 0.00126449, 0.00046292, 0.00369553 ], [ -0.001653, 0.00174779, 0.00044025 ], [ 0.00135905, 0.00027541, -0.0017821 ], [ 0.00033867, 0.00003725, 0.0011465 ], [ -0.00077419, 0.0014653, 0.00181584 ], [ -0.00010609, -0.00022542, 0.00314168 ], [ 0.00010609, 0.00022542, -0.00314168 ], [ -0.00033867, -0.00003725, -0.0011465 ], [ 0.00077419, -0.0014653, -0.00181584 ], [ 0.001653, -0.00174779, -0.00044025 ], [ -0.00135905, -0.00027541, 0.0017821 ], [ 0.00103112, 0.00114642, 0.0014537 ], [ 0.00052953, 0.00064627, 0.00246625 ], [ -0.00103112, -0.00114642, -0.0014537 ], [ -0.00052953, -0.00064627, -0.00246625 ] ]

0.000042

28.751446

pbe

true

f369767b96ec33cb4089f5ca1db57a25_2_Pm2Nd10Ho4

[ "Pa", "Se", "Tl" ]

11

A5B5C

PaSe5Tl5

Pa1 Tl5 Se5

3

[ 1, 1, 1 ]

3

[ [ 6.1213047, 0, 0 ], [ -3.06065235, 7.23879815, -0.3453709 ], [ 0, -3.10632862, 8.58272042 ] ]

agm003673275

[ [ 0, 0, 0 ], [ 3.0606523499999994, 1.92144828565504, 2.48199699047563 ], [ 3.06065235, -0.2218331653906246, 6.813054792303353 ], [ 0, -1.55316431, 4.29136021 ], [ -1.9591911458770993e-16, 4.354302695390626, 1.4242947276966464 ], [ 5.640639615963038e-17, 2.2110212443449595, 5.7553525295243695 ], [ 3.0606554412588736, 4.697426139371897, 0.7295252542790199 ], [ 3.060652349999999, 3.055114012066119, 5.732429744887595 ], [ 3.06065235, 0, 0 ], [ 2.7317223058176406e-17, 1.0773555179338807, 2.5049197751124037 ], [ -0.0000030912588733546545, -0.5649566093718975, 7.507824265720979 ] ]

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

[ "Pa", "Tl", "Tl", "Tl", "Tl", "Tl", "Se", "Se", "Se", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.09090909090909091, 0.45454545454545453, 0.45454545454545453 ]

[ [ 2.8042688, 0, 0 ], [ 0, 2.7487512, -0.00288703 ], [ 0, -0.00288411, 2.750336 ] ]

-46.372703

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

[ [ 0, 0, 0 ], [ 0, 0.00260893, 0.00004138 ], [ 0, -0.00339536, 0.00043416 ], [ 0, 0, 0 ], [ 0, 0.00339536, -0.00043416 ], [ 0, -0.00260893, -0.00004138 ], [ 0, 0.00541841, 0.0000877 ], [ 0, 0.00224268, 0.00250125 ], [ 0, 0, 0 ], [ 0, -0.00224268, -0.00250125 ], [ 0, -0.00541841, -0.0000877 ] ]

0.000001

-0.010024

pbe

true

98d5d2e398d15267e54bcfec15a99323_12_Pa1Tl5Se5

[ "Al", "Ba", "Tl", "V" ]

5

A2BCD

AlBaTlV2

Ba1 Al1 Tl1 V2

4

[ 1, 1, 1 ]

3

[ [ 5.08767898, 0, 0 ], [ 0, 6.13683792, 0 ], [ 0, 0, 5.08767898 ] ]

agm001557854

[ [ 2.54383949, 3.06841896, 2.54383949 ], [ 0, 0, 0 ], [ 0, 3.06841896, 0 ], [ 0, 0, 2.54383949 ], [ 2.54383949, 0, 0 ] ]

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

[ "Tl", "Al", "Ba", "V", "V" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 1.5430738, 0, 0 ], [ 0, 1.1358013, 0 ], [ 0, 0, 1.5430738 ] ]

-21.259112

[ 0.053, -0.016, 0.011, 2.8, 2.622 ]

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

7.168614

9.7447

pbe

true

21d048ef9e46096de73a5cbe45630f9e_123_Ba1Al1Tl1V2

[ "Al", "Pd", "Sn", "Th" ]

10

A4B3C2D

Al4Pd3SnTh2

Th2 Al4 Sn1 Pd3

4

[ 1, 1, 1 ]

3

[ [ 4.33247938, 0, 0 ], [ 0, 4.33247938, 0 ], [ 0, 0, 10.73584231 ] ]

agm004527803

[ [ 2.16623969, 0, 2.557592198421683 ], [ 0, 2.16623969, 8.178250111578318 ], [ 2.16623969, 2.16623969, 0 ], [ 0, 0, 0 ], [ 2.16623969, 0, 6.970702859291483 ], [ 0, 2.16623969, 3.765139450708517 ], [ 2.16623969, 2.16623969, 5.367921155 ], [ 0, 0, 5.367921155 ], [ 2.16623969, 0, 9.394724216745916 ], [ 0, 2.16623969, 1.341118093254084 ] ]

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

[ "Th", "Th", "Al", "Al", "Al", "Al", "Sn", "Pd", "Pd", "Pd" ]

2023-11-16 06:57:59

[ 0.4, 0.3, 0.1, 0.2 ]

[ [ 2.321416, 0, 0 ], [ 0, 2.321416, 0 ], [ 0, 0, 2.305694 ] ]

-56.808646

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

[ [ 0, 0, -0.00074239 ], [ 0, 0, 0.00074239 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00181203 ], [ 0, 0, -0.00181203 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.00186733 ], [ 0, 0, -0.00186733 ] ]

-0.000001

4.143704

pbe

true

20dfaa93bc25c6d33c9065f29a207369_115_Th2Al4Sn1Pd3

[ "Br", "K" ]

6

A2B

Br2K

K2 Br4

2

[ 1, 1, 1 ]

3

[ [ 0, 4.75609554, 4.75609554 ], [ 4.75609554, 0, 4.75609554 ], [ 4.75609554, 4.75609554, 0 ] ]

agm005430671

[ [ 4.75609554, 4.75609554, 4.75609554 ], [ 7.134143309999999, 7.134143309999999, 7.134143309999999 ], [ 1.189023885, 3.567071655, 3.567071655 ], [ 3.567071655, 1.189023885, 3.5670716549999995 ], [ 3.5670716549999995, 3.5670716549999995, 1.189023885 ], [ 1.189023885, 1.189023885, 1.189023885 ] ]

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

[ "K", "K", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.3333333333333333 ]

[ [ 0.61287725, 0, 0 ], [ 0, 0.61287725, 0 ], [ 0, 0, 0.61287725 ] ]

-13.281568

[ -0.001, -0.001, 0.409, 0.409, 0.409, 0.409 ]

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

2.051592

1.741862

pbe

true

97a2b0704cfc7890e56b56bcc14a2503_227_K2Br4

[ "C", "Ru" ]

8

AB

CRu

Ru4 C4

2

[ 1, 1, 1 ]

3

[ [ 1.60240264, -2.77544279, 0 ], [ 1.60240264, 2.77544279, 0 ], [ 0, 0, 9.57817163 ] ]

agm005494167

[ [ 1.60240264, 0.9251476151696187, 1.127110676088236 ], [ 1.60240264, -0.9251476151696187, 5.916196491088235 ], [ 1.60240264, -0.9251476151696187, 8.451060953911764 ], [ 1.60240264, 0.9251476151696187, 3.661975138911764 ], [ 0, 0, 2.3945429075 ], [ 0, 0, 7.1836287225 ], [ 1.60240264, 0.9251476151696187, 7.1836287225 ], [ 1.60240264, -0.9251476151696187, 2.3945429075 ] ]

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

[ "Ru", "Ru", "Ru", "Ru", "C", "C", "C", "C" ]

2023-11-16 06:57:59

[ 0.5, 0.5 ]

[ [ 0.55885184, 0, 0 ], [ 0, 0.55885184, 0 ], [ 0, 0, 0.5440586 ] ]

-60.068945

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

[ [ 0, 0, -0.00285696 ], [ 0, 0, -0.00285696 ], [ 0, 0, 0.00285696 ], [ 0, 0, 0.00285696 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ] ]

-0.000075

6.525251

pbe

true

9eb55df565a90647ed22aa49bf2338e6_194_Ru4C4

[ "Cr", "Zr" ]

8

A5B3

Cr3Zr5

Zr5 Cr3

2

[ 1, 1, 1 ]

3

[ [ 3.44670814, -4.78012786, 0 ], [ 3.44670814, 4.78012786, 0 ], [ 0, 0, 4.62188982 ] ]

agm005498215

[ [ 0, 0, 0 ], [ 1.72335407, -2.39006393, 0 ], [ 1.72335407, 2.39006393, 0 ], [ 5.00124761536501, -7.096796376771409e-17, 2.31094491 ], [ 1.8921686646349902, 7.096796376771409e-17, 2.31094491 ], [ 3.44670814, 0, 0 ], [ 3.44670814, -2.4690674932061505, 2.31094491 ], [ 3.44670814, 2.46906749320615, 2.31094491 ] ]

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

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

2023-11-16 06:57:59

[ 0.375, 0.625 ]

[ [ 2.8629773, 0, 0 ], [ 0, 3.122454, 0 ], [ 0, 0, 3.1846552 ] ]

-69.663825

[ -0.426, -0.246, -0.246, -0.303, -0.303, 1.66, 2.187, 2.187 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0049042, 0, 0 ], [ -0.0049042, 0, 0 ], [ 0, 0, 0 ], [ 0, 0.00396994, 0 ], [ 0, -0.00396994, 0 ] ]

4.458474

11.431923

pbe

true

6b3bdddf4c7e48fe3a822abd5dc29d8c_65_Zr5Cr3

[ "Ir", "Tb" ]

7

A6B

Ir6Tb

Tb1 Ir6

2

[ 1, 1, 1 ]

3

[ [ 5.89752589, 0, 0 ], [ -1.96584196, 5.56024073, 0 ], [ -1.96584196, -2.78012036, 4.81530973 ] ]

agm005405635

[ [ 0, 0, 0 ], [ -0.9829209775000002, 2.7801203675000004, 2.407654865 ], [ 0.9829209849999999, 3.4751504575000003, 1.2038274325 ], [ -0.9829209775000002, 0.695030095, 3.6114822975000003 ], [ 2.9487629474999997, 2.4999999848063226e-9, 2.407654865 ], [ 0.9829209849999997, -0.6950300875000001, 3.6114822975000003 ], [ 2.9487629474999992, 2.085090275, 1.2038274325 ] ]

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

[ "Tb", "Ir", "Ir", "Ir", "Ir", "Ir", "Ir" ]

2023-11-16 06:57:59

[ 0.8571428571428571, 0.14285714285714285 ]

[ [ 2.079454, 0, 0 ], [ 0, 2.079454, 0 ], [ 0, 0, 2.079454 ] ]

-54.843982

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

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

-0.000002

6.876798

pbe

true

fa3705471a95e7b4d853e9d5ab42a9bc_229_Tb1Ir6

[ "Al", "B", "Co" ]

14

A5BC

AlB5Co

Al2 Co2 B10

3

[ 1, 1, 1 ]

3

[ [ 5.26553448, -0.00001786, -0.00001104 ], [ -2.63278364, 3.10745187, 1.33975578 ], [ -0.00002469, 3.71481346, 8.53319555 ] ]

agm005746001

[ [ 0, 0, 0 ], [ -0.000012345, 1.85740673, 4.266597775 ], [ 1.5865477851190488, 4.036128493790383, 3.4730404620110575 ], [ 1.0461783648809513, 2.7861189762096163, 6.399899827988943 ], [ 0.7574384222511747, 2.063414872662683, 2.1207121039137995 ], [ 2.367244418925457, 2.516362363703256, 4.808090949685896 ], [ -0.757477065070408, 3.9208286647911064, 6.387300021397584 ], [ 2.043517324406996, 0.9286958262667108, 2.133287409494521 ], [ -0.2655335965436712, 6.1632948521300195, 9.331462615533816 ], [ 2.8982597465436717, 0.6589526178699799, 0.5414776744661842 ], [ 0.5892088255930046, 5.893551643733288, 7.73965288050548 ], [ 3.3902032150704082, 2.9014188052088934, 3.485640268602416 ], [ 0.2654817310745436, 4.305885106296744, 5.064849340314105 ], [ 1.8752877277488251, 4.7588325973373165, 7.7522281860862 ] ]

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

[ "Al", "Al", "Co", "Co", "B", "B", "B", "B", "B", "B", "B", "B", "B", "B" ]

2023-11-16 06:57:59

[ 0.14285714285714285, 0.7142857142857143, 0.14285714285714285 ]

[ [ 1.3415917, -0.00001002, -0.00000504 ], [ -0.00001002, 1.066271, 0.2502763 ], [ -0.00000504, 0.25026867, 1.3371583 ] ]

-86.697546

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0.0006865, 0, 0 ], [ -0.0006865, 0, 0 ], [ 0.00007613, 0.00187611, -0.00071621 ], [ 0.00066799, -0.00436556, 0.00021483 ], [ -0.00007615, 0.00187611, -0.00071621 ], [ 0.00105546, 0, 0 ], [ 0.00066795, 0.00436555, -0.00021483 ], [ -0.00066795, -0.00436555, 0.00021483 ], [ -0.00105546, 0, 0 ], [ 0.00007615, -0.00187611, 0.00071621 ], [ -0.00066799, 0.00436556, -0.00021483 ], [ -0.00007613, -0.00187611, 0.00071621 ] ]

0

3.868028

pbe

true

5c8058e1e31b237d12aad5a31b23fe88_15_Al2Co2B10

[ "Al", "Cd", "K" ]

4

A2BC

Al2CdK

K1 Al2 Cd1

3

[ 1, 1, 1 ]

3

[ [ 4.80188921, -0.19443485, 0.0014862 ], [ 3.91436033, 2.78814062, 0.0014862 ], [ 0.71695469, 0.21334515, 7.62474994 ] ]

agm004171015

[ [ 7.0749031725, 2.10528819, 5.7207917550000005 ], [ 8.697933117934838, 2.588255328814631, 0.6407868372741696 ], [ 4.7349185370651625, 1.408975901185369, 3.1760467327258306 ], [ 2.3583010575, 0.70176273, 1.906930585 ] ]

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

[ "K", "Al", "Al", "Cd" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.092386, 0.10347211, -0.05631544 ], [ 0.10347211, 1.7754543, -0.01675786 ], [ -0.0563154, -0.01675785, 1.7384849 ] ]

-8.711607

[ 0, 0, 0, 0 ]

[ [ 0, 0, 0 ], [ -0.00020143, -0.00005994, -0.00076472 ], [ 0.00020143, 0.00005994, 0.00076472 ], [ 0, 0, 0 ] ]

-0.000001

1.355637

pbe

true

f6291b27bd55eb2c429dfabccdbdadcb_12_K1Al2Cd1

[ "Al", "Nd", "Ni" ]

6

A4BC

AlNdNi4

Nd1 Al1 Ni4

3

[ 1, 1, 1 ]

3

[ [ 4.9663163, 0.00035558, 0.00024115 ], [ 2.48346614, 4.30074995, 0.00022259 ], [ 2.48345755, 1.43385572, 4.05466654 ] ]

agm002250172

[ [ 3.744068989599384, 3.5735078832932943, 2.526793949247129 ], [ 4.966777127893616, 1.4557169935039533, 2.526808643725097 ], [ 6.1896077784578845, 3.573579762630136, 2.52682183349861 ], [ 4.966783269475969, 2.867565744002158, 0.5301165504185434 ], [ 0.0000803086584937, 0.000041721562809700004, 0.0000069381043926 ], [ 2.4829517231760434, 1.4334929520404724, 1.013547912130637 ] ]

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

[ "Ni", "Ni", "Ni", "Ni", "Nd", "Al" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]

[ [ -9.415009, -0.1985369, -0.1836606 ], [ -0.19853722, -9.58522, 0.12785079 ], [ -0.18366131, 0.12784985, -9.401249 ] ]

-33.762863

[ -0.001, 0.002, -0.002, 0.001, 0, 0 ]

[ [ -0.00060247, 0.00034767, 0.00003849 ], [ 0.00022079, -0.00071789, 0.00035216 ], [ 0.00139822, 0.00052637, 0.00055075 ], [ -0.00010774, 0.00007817, -0.00170991 ], [ -0.00125384, -0.00023145, -0.00026185 ], [ 0.00034504, -0.00000287, 0.00103036 ] ]

0

2.409374

pbe

true

f9a1ec4ad2d50c58cd3abf8726d69197_216_Nd1Al1Ni4

[ "Ba", "Mn", "P" ]

6

A4BC

BaMnP4

Ba1 Mn1 P4

3

[ 1, 1, 1 ]

3

[ [ 0, 3.99195282, 3.99195282 ], [ 3.99195282, 0, 3.99195282 ], [ 3.99195282, 3.99195282, 0 ] ]

agm005452229

[ [ 5.98792923, 5.98792923, 5.98792923 ], [ 0, 0, 0 ], [ 2.8256665187976613, 5.158239161121867, 5.158239161121867 ], [ 5.158239161121867, 5.158239161121867, 2.8256665187976613 ], [ 5.158239161121867, 2.8256665187976613, 5.158239161121867 ], [ 2.8256665187976613, 2.8256665187976613, 2.8256665187976613 ] ]

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

[ "Ba", "Mn", "P", "P", "P", "P" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.16666666666666666, 0.6666666666666666 ]

[ [ 0.74053365, 0, 0 ], [ 0, 0.74053365, 0 ], [ 0, 0, 0.74053365 ] ]

-31.503113

[ -0.022, 4.179, -0.029, -0.029, -0.029, -0.029 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00190927, 0.00190927, 0.00190927 ], [ 0.00190927, 0.00190927, -0.00190927 ], [ 0.00190927, -0.00190927, 0.00190927 ], [ -0.00190927, -0.00190927, -0.00190927 ] ]

4.167876

3.97775

pbe

true

f905abb4b4e4034d053405c73dc8e2bf_216_Ba1Mn1P4

[ "Be", "Fe", "Sn" ]

5

A3BC

BeFe3Sn

Be1 Fe3 Sn1

3

[ 1, 1, 1 ]

3

[ [ 4.06571721, 0, 0 ], [ 0, 4.06571721, 0 ], [ 0, 0, 4.06571721 ] ]

agm002414464

[ [ 0, 0, 0 ], [ 2.032858605, 2.032858605, 2.032858605 ], [ 0, 2.032858605, 0 ], [ 0, 0, 2.032858605 ], [ 2.032858605, 0, 0 ] ]

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

[ "Be", "Sn", "Fe", "Fe", "Fe" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ -23.672005, 0, 0 ], [ 0, -23.672005, 0 ], [ 0, 0, -23.672005 ] ]

-31.395237

[ -0.155, -0.131, 2.24, 2.409, 1.889 ]

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

6.145009

5.58701

pbe

true

d97da14b1e904a102cfbb55ffd5e4a7f_221_Be1Fe3Sn1

[ "Be", "Mn", "Zn" ]

5

A2B2C

Be2Mn2Zn

Mn2 Be2 Zn1

3

[ 1, 1, 1 ]

3

[ [ -1.78341878, 1.78341878, 4.77250485 ], [ 1.78341878, -1.78341878, 4.77250485 ], [ 1.78341878, 1.78341878, -4.77250485 ] ]

agm005418242

[ [ 1.78341878, 0, 2.386252425 ], [ -1.1102230246251565e-16, 1.7834187800000003, 2.386252425 ], [ -7.014044729682496e-17, 7.014044729682496e-17, 5.779170825212051 ], [ -2.885918230842037e-17, 2.885918230842037e-17, 3.765838874787948 ], [ 0, 0, 0 ] ]

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

[ "Mn", "Mn", "Be", "Be", "Zn" ]

2023-11-16 06:57:59

[ 0.4, 0.4, 0.2 ]

[ [ 7.522772, 0, 0 ], [ 0, 7.522772, 0 ], [ 0, 0, 7.0265303 ] ]

-25.085214

[ 2.537, 2.537, 0.004, 0.004, -0.05 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.0012763 ], [ 0, 0, -0.0012763 ], [ 0, 0, 0 ] ]

5.216625

3.042597

pbe

true

505e12a22acdac93499c1e8c2cb62629_139_Mn2Be2Zn1

[ "Br", "Cs", "Ta" ]

10

A6B3C

Br6Cs3Ta

Cs3 Ta1 Br6

3

[ 1, 1, 1 ]

3

[ [ 8.52319256, 0, 0 ], [ 0, 8.52319256, 0 ], [ 4.26159628, 4.26159628, 6.02662612 ] ]

agm004469992

[ [ 4.26159628, 4.26159628, 0 ], [ 8.52319256, 4.26159628, 3.01331306 ], [ 4.26159628, 8.52319256, 3.01331306 ], [ 4.26159628, 4.26159628, 3.3935336251059347 ], [ 8.52319256, 8.52319256, 2.6330924948940657 ], [ 1.861916302454275, 1.861916302454275, 0 ], [ 6.661276257545724, 6.661276257545724, 0 ], [ 6.661276257545724, 1.861916302454275, 0 ], [ 1.861916302454275, 6.661276257545724, 0 ], [ 0, 0, 0 ] ]

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

[ "Cs", "Cs", "Cs", "Br", "Br", "Br", "Br", "Br", "Br", "Ta" ]

2023-11-16 06:57:59

[ 0.6, 0.3, 0.1 ]

[ [ 0.3944358, 0, 0 ], [ 0, 0.3944358, 0 ], [ 0, 0, 0.37250954 ] ]

-37.466365

[ 0.001, 0.003, 0.003, 0.001, 0.001, 0.002, 0.002, 0.002, 0.002, 1.348 ]

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0.01870932 ], [ 0, 0, -0.01870932 ], [ -0.01200308, -0.01200308, 0 ], [ 0.01200308, 0.01200308, 0 ], [ 0.01200308, -0.01200308, 0 ], [ -0.01200308, 0.01200308, 0 ], [ 0, 0, 0 ] ]

2

14.271676

pbe

true

259297ee0db199578468a278758b1344_225_Cs3Ta1Br6

[ "Br", "F", "O" ]

12

A3B2C

BrF3O2

Br2 O4 F6

3

[ 1, 1, 1 ]

3

[ [ 6.25667085, -0.87076857, 0.2851741 ], [ -0.62285463, 6.28619249, 0.2851707 ], [ -0.35783138, -0.34396387, 6.02662763 ] ]

agm005625749

[ [ 5.201529946020217, -0.3102455690489734, 4.805144433663726 ], [ 0.07445489397978285, 5.381705619048974, 1.791827996336274 ], [ 1.5403164923451966, 2.6949738466381365, 4.543779724923048 ], [ 2.9326477157986526, 1.6045946330086807, 1.530465936423708 ], [ 2.3433371242013474, 3.466865416991319, 5.066506493576291 ], [ 3.735668347654804, 2.3764862033618637, 2.0531927050769525 ], [ 1.3046129148134766, 4.101938073128617, 1.791828601453425 ], [ 3.971371925186524, 0.9695219768713838, 4.805143828546575 ], [ -0.5927876152296864, 4.615727930085295, 6.010750138633212 ], [ 0.5083665907059833, 5.6741979900380315, 3.5995335427183126 ], [ 4.767618249294017, -0.6027379400380312, 2.9974388872816875 ], [ 5.868772455229687, 0.45573211991470497, 0.5862222913667877 ] ]

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

[ "Br", "Br", "O", "O", "O", "O", "F", "F", "F", "F", "F", "F" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ 4.5872717, -1.185024, -1.0695198 ], [ -1.185024, 4.6809993, -1.0280675 ], [ -1.0695199, -1.0280676, 7.120804 ] ]

-41.126845

[ 0.001, 0.001, 0.806, 0.806, 0.806, 0.806, 0.003, 0.003, 0.001, 0.001, 0.001, 0.001 ]

[ [ 0.00204623, -0.00212875, 0 ], [ -0.00204623, 0.00212875, 0 ], [ 0.00821529, 0.00592666, 0.00334313 ], [ 0.00624667, 0.00797468, 0.00334313 ], [ -0.00624667, -0.00797468, -0.00334313 ], [ -0.00821529, -0.00592666, -0.00334313 ], [ -0.00051911, 0.00054004, 0 ], [ 0.00051911, -0.00054004, 0 ], [ 0.00075436, -0.00275605, -0.00523667 ], [ 0.0027241, -0.00086268, 0.00523667 ], [ -0.0027241, 0.00086268, -0.00523667 ], [ -0.00075436, 0.00275605, 0.00523667 ] ]

4.000001

-0.019887

pbe

true

58ff0cb729f66ae171ddf70eacfe002c_15_Br2O4F6

[ "Br", "Ni", "Sb" ]

9

A6B2C

Br6NiSb2

Ni1 Sb2 Br6

3

[ 1, 1, 1 ]

3

[ [ 3.96097793, 0, 0 ], [ -1.98048948, 10.68812912, 0 ], [ 0, 0, 19.17236646 ] ]

agm2000133419

[ [ 1.9804889848048846, 1.0688129119999999e-7, 9.586183421723666 ], [ -1.927328546333679e-7, 3.177862526459603, 10.379859000213315 ], [ 1.9804884644888423, 7.510266700421688, 8.792507651510348 ], [ -2.1277936537984994e-7, 8.526185450863593, 10.780957368594713 ], [ 1.980488623169596, 2.161943455373824, 8.39140889968162 ], [ -2.3267505705095772e-7, 5.65090385979119, 7.9146853235224155 ], [ 1.9804887024799414, 5.0372253670901, 11.257680944753918 ], [ 1.98048902490518, 1.2228912712932607, 11.67236638579819 ], [ -4.560758423874196e-7, 9.465237848706739, 7.500000074201809 ] ]

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

[ "Ni", "Sb", "Sb", "Br", "Br", "Br", "Br", "Br", "Br" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.1111111111111111, 0.2222222222222222 ]

[ [ -0.12309472, 1e-8, 0 ], [ 1e-8, -0.15790983, 0.00050522 ], [ 0, 0.00050525, -0.42008334 ] ]

-26.272605

[ 0.858, 0.134, 0.134, 0.066, 0.066, -0.003, -0.003, 0.091, 0.091 ]

[ [ 0, 0, 0 ], [ 0, -0.00212478, 0.00043381 ], [ 0, 0.00212478, -0.00043381 ], [ 0, -0.00139249, -0.00140107 ], [ 0, 0.00139249, 0.00140107 ], [ 0, -0.00403779, -0.00136133 ], [ 0, 0.00403779, 0.00136133 ], [ 0, -0.00080923, 0.00042919 ], [ 0, 0.00080923, -0.00042919 ] ]

1.857519

3.765112

pbe

true

53edf1f3f3f442aa510269a74a1aa6b1_12_Ni1Sb2Br6

[ "Mg", "Tb", "Zn" ]

10

A3BC

MgTb3Zn

Tb6 Mg2 Zn2

3

[ 1, 1, 1 ]

3

[ [ 5.045439, 0, 1.15300834 ], [ 0, 5.16778892, 0 ], [ 0.31285368, 0, 10.24664148 ] ]

agm005816637

[ [ 3.8712346134095843, 1.29194723, 2.2064283290229003 ], [ 2.223671307160495, 1.29194723, 9.416094423774327 ], [ 3.051568114756705, 1.29194723, 5.793341190660322 ], [ 1.3603826576115048, 3.8758416899999997, 1.5780977074479916 ], [ 4.758212942411416, 3.8758416899999997, 9.940761765124359 ], [ 0.5325009863322948, 3.8758416899999997, 5.2008543995870165 ], [ 2.640857942746234, 3.8758416899999997, 7.590495321502371 ], [ 0.9431808857087665, 1.29194723, 3.4036933506949283 ], [ 3.451422155586342, 3.8758416899999997, 4.043761678329609 ], [ 5.178146490770658, 1.29194723, 8.10345608801781 ] ]

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

[ "Tb", "Tb", "Tb", "Tb", "Tb", "Tb", "Mg", "Mg", "Zn", "Zn" ]

2023-11-16 06:57:59

[ 0.2, 0.6, 0.2 ]

[ [ 0.9855637, 0, -0.02498015 ], [ 0, 0.92820525, 0 ], [ -0.02498015, 0, 1.089166 ] ]

-34.856077

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

[ [ -0.00021152, 0, 0.00092557 ], [ -0.00079248, 0, 0.0034678 ], [ 0.00018612, 0, -0.00081445 ], [ 0.00079248, 0, -0.0034678 ], [ 0.00021152, 0, -0.00092557 ], [ -0.00018612, 0, 0.00081445 ], [ -0.00085546, 0, 0.0037434 ], [ 0.00085546, 0, -0.0037434 ], [ -0.00038459, 0, 0.0016829 ], [ 0.00038459, 0, -0.0016829 ] ]

0.000751

10.973799

pbe

true

aeae3b2b6a4b8df9fb7a33e96c589611_63_Tb6Mg2Zn2

[ "Nd", "Pb", "Sn" ]

8

A2BC

Nd2PbSn

Nd4 Sn2 Pb2

3

[ 1, 1, 1 ]

3

[ [ 4.46971993, 0, 0 ], [ 0, 6.38133558, -0.09358228 ], [ 0, -3.30603925, 8.75153854 ] ]

agm003623835

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

[ "Nd", "Nd", "Nd", "Nd", "Sn", "Sn", "Pb", "Pb" ]

2023-11-16 06:57:59

[ 0.5, 0.25, 0.25 ]

[ [ 2.6525927, 0, 0 ], [ 0, 2.6968784, 0.00040187 ], [ 0, 0.00040179, 2.677472 ] ]

-39.876696

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

[ [ 0, 0.00141826, 0.00065881 ], [ 0, -0.00141826, -0.00065881 ], [ 0, 0.00258665, -0.00112504 ], [ 0, -0.00258665, 0.00112504 ], [ 0, -0.00123226, -0.00447533 ], [ 0, 0.00123226, 0.00447533 ], [ 0, 0.00093971, -0.00150697 ], [ 0, -0.00093971, 0.00150697 ] ]

0

6.273871

pbe

true

15a688f321dbfa8cd5d416f4dcae61bf_11_Nd4Sn2Pb2

[ "Ac", "I", "O", "Tl" ]

20

A6B2CD

AcIO6Tl2

Ac2 Tl4 I2 O12

4

[ 1, 1, 1 ]

3

[ [ 6.6428963, 0, 0 ], [ 3.32144815, 5.75291695, 0 ], [ 3.32144815, 1.91763899, 10.2629818 ] ]

agm004964413

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

[ "Ac", "Ac", "Tl", "Tl", "Tl", "Tl", "I", "I", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.1, 0.1, 0.6, 0.2 ]

[ [ 0.4828856, 0, 0 ], [ 0, 0.4828856, 0 ], [ 0, 0, 0.3617678 ] ]

-104.909966

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[ [ 0, 0, -0.00059602 ], [ 0, 0, 0.00059602 ], [ 0, 0, -0.00136241 ], [ 0, 0, 0.00136241 ], [ 0, 0, -0.00556674 ], [ 0, 0, 0.00556674 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.00160113, 0.00092441, 0.00015351 ], [ 0, -0.00184882, 0.00015351 ], [ 0.00160113, 0.00092441, 0.00015351 ], [ 0.00160113, -0.00092441, -0.00015351 ], [ 0, 0.00184882, -0.00015351 ], [ -0.00160113, -0.00092441, -0.00015351 ], [ 0.00321998, -0.00185906, 0.00231303 ], [ 0, 0.00371812, 0.00231303 ], [ -0.00321998, -0.00185906, 0.00231303 ], [ -0.00321998, 0.00185906, -0.00231303 ], [ 0, -0.00371812, -0.00231303 ], [ 0.00321998, 0.00185906, -0.00231303 ] ]

0.00012

0

pbe

true

156421ff69ea144aa7172f58ec865b4b_166_Ac2Tl4I2O12

[ "Al", "Er", "Ho", "Sc" ]

4

ABCD

AlErHoSc

Ho1 Er1 Sc1 Al1

4

[ 1, 1, 1 ]

3

[ [ 5.20301187, 0, 0 ], [ 2.60150594, 4.50594046, 0 ], [ 2.60150594, 1.50198015, 4.2482414 ] ]

agm001390274

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

[ "Sc", "Al", "Ho", "Er" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.25, 0.25 ]

[ [ 1.55342, 0, 0 ], [ 0, 1.55342, 0 ], [ 0, 0, 1.55342 ] ]

-19.647083

[ 0.031, -0.001, 0.018, 0.02 ]

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

0.0894

5.49562

pbe

true

557db8b46fc77c1980b7874c12e9bae5_216_Ho1Er1Sc1Al1

[ "Cu", "Mo", "Sb", "Se" ]

5

A2BCD

CuMo2SbSe

Cu1 Sb1 Mo2 Se1

4

[ 1, 1, 1 ]

3

[ [ 4.62272495, 0, 0 ], [ 0, 5.37868346, 0 ], [ 0, 0, 4.62272495 ] ]

agm001563389

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

[ "Sb", "Mo", "Mo", "Cu", "Se" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

[ [ -0.23718832, 0, 0 ], [ 0, -2.4631407, 0 ], [ 0, 0, -0.23718832 ] ]

-26.186085

[ 0, 0, 0, 0, 0 ]

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

-0.000057

5.09944

pbe

true

cf348c73d6aaadeb505e1043b3bfdf31_123_Cu1Sb1Mo2Se1

[ "F", "Ge", "Li", "Ti" ]

5

A2BCD

FGeLiTi2

Li1 Ti2 Ge1 F1

4

[ 1, 1, 1 ]

3

[ [ 4.54251718, 0, 0 ], [ 0, 4.02122142, 0 ], [ 0, 0, 4.54251718 ] ]

agm001455555

[ [ 0, 2.01061071, 0 ], [ 2.27125859, 2.01061071, 2.27125859 ], [ 0, 0, 0 ], [ 0, 0, 2.27125859 ], [ 2.27125859, 0, 0 ] ]

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

[ "Ge", "F", "Li", "Ti", "Ti" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.2, 0.4 ]

[ [ 0.32771784, 0, 0 ], [ 0, 1.8229853, 0 ], [ 0, 0, 0.32771784 ] ]

-22.624822

[ 0, 0, 0, 0, 0 ]

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

-0.000002

2.340883

pbe

true

5560b56bae114b99f63a37da2d046423_123_Li1Ti2Ge1F1

[ "Ga", "I", "N", "O" ]

5

A2BCD

GaIN2O

Ga1 I1 N2 O1

4

[ 1, 1, 1 ]

3

[ [ 4.13830419, 0, 0 ], [ 0, 4.13830419, 0 ], [ 0, 0, 4.43301839 ] ]

agm001723572

[ [ 0, 0, 2.216509195 ], [ 0, 0, 0 ], [ 2.069152095, 2.069152095, 2.216509195 ], [ 0, 2.069152095, 0 ], [ 2.069152095, 0, 0 ] ]

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

[ "I", "O", "Ga", "N", "N" ]

2023-11-16 06:57:59

[ 0.2, 0.2, 0.4, 0.2 ]

[ [ 0.8262813, 0, 0 ], [ 0, 0.8262813, 0 ], [ 0, 0, 1.2281947 ] ]

-15.737658

[ 0.051, -0.143, 0.016, 0.865, 0.865 ]

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

2.314366

3.177511

pbe

true

a65b0ccfe82207fc489a281d77c04a7b_123_Ga1I1N2O1

[ "I", "La", "O", "Pr" ]

8

A4B2CD

ILa2O4Pr

La2 Pr1 I1 O4

4

[ 1, 1, 1 ]

3

[ [ 4.14119874, 0, 0 ], [ 0, 4.14119874, 0 ], [ 0, 0, 9.86012345 ] ]

agm004772122

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

[ "La", "La", "Pr", "I", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.125, 0.25, 0.5, 0.125 ]

[ [ 0.27127275, 0, 0 ], [ 0, 0.27127275, 0 ], [ 0, 0, 0.47309437 ] ]

-61.260582

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

[ [ 0, 0, -0.00466792 ], [ 0, 0, 0.00466792 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.0024036 ], [ 0, 0, 0.0024036 ], [ 0, 0, -0.0024036 ], [ 0, 0, 0.0024036 ] ]

0

pbe

true

1d35de3e00f80ae5e7d0f707d8e28217_123_La2Pr1I1O4

[ "La", "Li", "O", "S" ]

11

A4B3C2D2

La3Li2O4S2

Li2 La3 S2 O4

4

[ 1, 1, 1 ]

3

[ [ 3.99540537, 0, 0 ], [ 0, 3.99540537, 0 ], [ -1.99770269, -1.99770268, 10.63084301 ] ]

agm004489442

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

[ "Li", "Li", "La", "La", "La", "S", "S", "O", "O", "O", "O" ]

2023-11-16 06:57:59

[ 0.2727272727272727, 0.18181818181818182, 0.36363636363636365, 0.18181818181818182 ]

[ [ 0.6540031, 0, 0 ], [ 0, 0.6540031, 0 ], [ 0, 0, 0.665768 ] ]

-73.773807

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

[ [ 0, 0, -0.01090151 ], [ 0, 0, 0.01090151 ], [ 0, 0, 0 ], [ 0, 0, 0.00150528 ], [ 0, 0, -0.00150528 ], [ 0, 0, -0.00009872 ], [ 0, 0, 0.00009872 ], [ 0, 0, 0.00145488 ], [ 0, 0, 0.00145488 ], [ 0, 0, -0.00145488 ], [ 0, 0, -0.00145488 ] ]

-0.000287

7.124274

pbe

true

4f0379691803f84f3fb1a923e5ab6ec1_139_Li2La3S2O4

[ "Sc", "Sr", "Ta", "Tl" ]

5

A2BCD

Sc2SrTaTl

Sr1 Sc2 Ta1 Tl1

4

[ 1, 1, 1 ]

3

[ [ 5.20703843, 0, 0 ], [ 0, 5.11462589, 0 ], [ 0, 0, 5.20703843 ] ]

agm001528177

[ [ 0, 0, 2.603519215 ], [ 2.603519215, 0, 0 ], [ 0, 0, 0 ], [ 2.603519215, 2.557312945, 2.603519215 ], [ 0, 2.557312945, 0 ] ]

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

[ "Sc", "Sc", "Sr", "Tl", "Ta" ]

2023-11-16 06:57:59

[ 0.4, 0.2, 0.2, 0.2 ]

[ [ 3.8011837, 0, 0 ], [ 0, 2.808652, 0 ], [ 0, 0, 3.8011837 ] ]

-19.748846

[ 0.238, 0.124, 0.13, -0.002, 0.622 ]

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

1.52114

5.7096

pbe

true

e24780778e81927c94e29df6588c043d_123_Sr1Sc2Ta1Tl1

[ "Cr", "Fe", "N" ]

19

A8B8C3

Cr8Fe3N8

Cr8 Fe3 N8

3

[ 1, 1, 1 ]

3

[ [ 8.25268337, -0.28788058, 0.04791142 ], [ 1.07082747, 3.78773165, 0 ], [ 1.89056675, -0.53448152, 5.699717 ] ]

mp-1246813

[ [ 2.951357750557106, 3.256085518358622, 4.20368883804671 ], [ 8.262719839442894, -0.290715968358622, 1.5439395819532895 ], [ 7.335084758741166, 2.0167657517781223, 2.7121866065414966 ], [ 3.8789928312588335, 0.9486037982218772, 3.0354418134585033 ], [ 9.196231140447072, 1.4906017265718974, 5.480780256035761 ], [ 2.0178464495529274, 1.4747678234281028, 0.26684816396423916 ], [ 6.474450926686434, 0.2148448062339045, 4.805640700167412 ], [ 4.739626663313565, 2.750524743766096, 0.9419877198325874 ], [ 1.48069711, 1.626625065, 2.8498585 ], [ 5.387341719982983, 2.5674114440949167, 4.4865864629517604 ], [ 5.826735870017017, 0.39795810590508335, 1.2610419570482392 ], [ 2.850173197115432, 3.284695501989344, 0.5317656215297409 ], [ 8.363904392884569, -0.3193259519893442, 5.215862798470258 ], [ 4.437265213290063, 2.8360093107800872, 2.9329711481630696 ], [ 6.7768123767099375, 0.1293602392199128, 2.8146572718369303 ], [ 7.241768846284657, 2.0431470225630686, 4.691526177330569 ], [ 3.9723087437153413, 0.9222225274369311, 1.0561022426694302 ], [ 2.5260122120534527, 1.3311064419575558, 4.386874300404237 ], [ 8.688065377946547, 1.6342631080424446, 1.3607541195957622 ] ]

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

[ "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Cr", "Fe", "Fe", "Fe", "N", "N", "N", "N", "N", "N", "N", "N" ]

2019-07-29 23:57:37

[ 0.42105263157894735, 0.15789473684210525, 0.42105263157894735 ]

[ [ -13.52690508, -0.73438278, 1.25954263 ], [ -0.73438278, -15.91695628, -0.35608455 ], [ 1.2595505, -0.35608678, -14.49204858 ] ]

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2014-02-20 00:13:21

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2014-02-08 16:20:10

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2020-05-09 12:43:28

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2019-01-12 02:07:01

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false

9e4c041a5d13aff49d093211a5472f00_14_V4P8N4O32

[ "C", "Si" ]

6

A5B

C5Si

Si1 C5

2

[ 1, 1, 1 ]

3

[ [ 3.42371435, 0, 0 ], [ 0, 3.42371435, 0 ], [ 0, 0, 5.31019276 ] ]

agm005465800

[ [ 1.711857175, 1.711857175, 0 ], [ 0, 0, 4.664001828368839 ], [ 0, 0, 0.6461909316311604 ], [ 1.711857175, 1.711857175, 3.294519311652757 ], [ 1.711857175, 1.711857175, 2.0156734483472425 ], [ 0, 0, 2.65509638 ] ]

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

[ "Si", "C", "C", "C", "C", "C" ]

2023-11-16 06:57:59

[ 0.8333333333333334, 0.16666666666666666 ]

[ [ 0.17778042, 0, 0 ], [ 0, 0.17778042, 0 ], [ 0, 0, -0.15917394 ] ]

-35.657945

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

[ [ 0, 0, 0 ], [ 0, 0, 0.00426475 ], [ 0, 0, -0.00426475 ], [ 0, 0, 0.00195495 ], [ 0, 0, -0.00195495 ], [ 0, 0, 0 ] ]

0.000002

2.33262

pbe

true

6f8301e9edb7b7ba14c1ce006a219b9d_123_Si1C5

[ "Ag", "La", "Nd" ]

4

A2BC

AgLa2Nd

La2 Nd1 Ag1

3

[ 1, 1, 1 ]

3

[ [ 3.77217558, -0.00555513, -0.00239788 ], [ 1.88127691, 3.26957745, -0.00239788 ], [ 1.87515837, 1.08262319, 10.7405847 ] ]

agm005116462

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

[ "La", "La", "Nd", "Ag" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ 1.6186466, -0.008476, -0.01617891 ], [ -0.008476, 1.6284338, -0.0093409 ], [ -0.016179, -0.00934095, 1.6933163 ] ]

-17.468739

[ 0, 0, 0, 0 ]

[ [ 0.00214679, 0.00123945, -0.00279552 ], [ -0.00370496, -0.00213906, 0.0029913 ], [ 0.00191802, 0.00110737, 0.00155884 ], [ -0.00035984, -0.00020776, -0.00175461 ] ]

0.000018

5.041752

pbe

true

5df892a92e8e9f29ed1871fb665893a1_160_La2Nd1Ag1

[ "Al", "Ce", "Er" ]

12

A6B5C

Al6CeEr5

Ce1 Er5 Al6

3

[ 1, 1, 1 ]

3

[ [ 4.85079339, 0.00401224, -1.49252061 ], [ -0.78450974, 6.64356326, -2.53159505 ], [ 0.04901523, -0.49632855, 8.786812 ] ]

agm006134542

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

[ "Al", "Al", "Al", "Al", "Al", "Al", "Ce", "Er", "Er", "Er", "Er", "Er" ]

2023-11-16 06:57:59

[ 0.5, 0.08333333333333333, 0.4166666666666667 ]

[ [ 0.6538866, 0.01149957, -0.04763689 ], [ 0.01149957, 0.41806722, 0.03671443 ], [ -0.04763689, 0.03671443, 0.5138234 ] ]

-55.663448

[ 0.003, 0.003, 0.006, 0.006, 0.003, 0.003, 0.681, 0.009, -0.008, 0.02, -0.008, 0.009 ]

[ [ 0.00055879, -0.00089663, 0.00181364 ], [ 0.00022185, 0.0019567, 0.00072635 ], [ -0.00013353, 0.00113079, -0.0004309 ], [ 0.00013353, -0.00113079, 0.0004309 ], [ -0.00022185, -0.0019567, -0.00072635 ], [ -0.00055879, 0.00089663, -0.00181364 ], [ 0, 0, 0 ], [ 0.00039814, 0.00054066, 0.00129545 ], [ 0.00084138, 0.00114255, 0.00273761 ], [ 0, 0, 0 ], [ -0.00084138, -0.00114255, -0.00273761 ], [ -0.00039814, -0.00054066, -0.00129545 ] ]

0.885703

8.538557

pbe

true

c323219ffb177f1c3e39669a49d30bc4_71_Ce1Er5Al6

[ "As", "Nb", "Th" ]

20

A3BC

As3NbTh

Th4 Nb4 As12

3

[ 1, 1, 1 ]

3

[ [ 5.84023839, 0, 0 ], [ 0, 5.95322015, 0 ], [ 0, 0, 12.57436453 ] ]

agm003728039

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

[ "Th", "Th", "Th", "Th", "Nb", "Nb", "Nb", "Nb", "As", "As", "As", "As", "As", "As", "As", "As", "As", "As", "As", "As" ]

2023-11-16 06:57:59

[ 0.6, 0.2, 0.2 ]

[ [ 1.1222647, 0, 0 ], [ 0, 1.2147411, 0 ], [ 0, 0, 0.9668022 ] ]

-141.636529

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

[ [ 0, 0.0004502, -0.00185273 ], [ 0, -0.0004502, 0.00185273 ], [ 0, 0.0004502, 0.00185273 ], [ 0, -0.0004502, -0.00185273 ], [ 0, 0, -0.00016993 ], [ 0, 0, 0.00016993 ], [ 0, 0, 0.00016993 ], [ 0, 0, -0.00016993 ], [ 0, 0, -0.00053196 ], [ 0, 0, 0.00053196 ], [ 0, 0, 0.00053196 ], [ 0, 0, -0.00053196 ], [ 0, -0.00305779, 0.0021852 ], [ 0, 0.00305779, -0.0021852 ], [ 0, -0.00305779, -0.0021852 ], [ 0, 0.00305779, 0.0021852 ], [ 0, 0.00177393, 0.00068916 ], [ 0, -0.00177393, -0.00068916 ], [ 0, 0.00177393, -0.00068916 ], [ 0, -0.00177393, 0.00068916 ] ]

-0.000017

12.355953

pbe

true

8c22689c1b403b8a3ccc5bda3c45dd34_57_Th4Nb4As12

[ "Bi", "N", "Pb" ]

8

A2BC

BiN2Pb

Bi2 Pb2 N4

3

[ 1, 1, 1 ]

3

[ [ 5.55936394, 0, 0 ], [ 0, 5.55936394, 0 ], [ 2.77968197, 2.77968197, 5.45469009 ] ]

agm002858229

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

[ "Pb", "Pb", "Bi", "Bi", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.25, 0.5, 0.25 ]

[ [ -0.1644468, 0, 0 ], [ 0, -0.1644468, 0 ], [ 0, 0, 1.8275015 ] ]

-41.668883

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

[ [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ -0.013158, 0, 0 ], [ 0.013158, 0, 0 ], [ 0, 0.013158, 0 ], [ 0, -0.013158, 0 ] ]

0

3.869366

pbe

true

d161c7820e694d354dac94cff0d42c33_122_Bi2Pb2N4

[ "Ca", "Ni", "Sn" ]

12

A3B2C

CaNi3Sn2

Ca2 Ni6 Sn4

3

[ 1, 1, 1 ]

3

[ [ 4.34334399, 0, 0 ], [ -2.17167199, 8.19006801, 0.03576495 ], [ 0, -3.63291098, 6.52493762 ] ]

agm003425653

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

[ "Ca", "Ca", "Ni", "Ni", "Ni", "Ni", "Ni", "Ni", "Sn", "Sn", "Sn", "Sn" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.5, 0.3333333333333333 ]

[ [ -4.4245276, 0, 0 ], [ 0, -4.789137, -0.00333664 ], [ 0, -0.00332189, -4.812876 ] ]

-58.172806

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

[ [ 0, 0.0015008, -0.00188024 ], [ 0, -0.0015008, 0.00188024 ], [ 0, 0.00731071, -0.00105174 ], [ 0, -0.00453502, -0.00850506 ], [ 0, -0.00057135, 0.00355062 ], [ 0, 0.00057135, -0.00355062 ], [ 0, 0.00453502, 0.00850506 ], [ 0, -0.00731071, 0.00105174 ], [ 0, 0.00314944, -0.00280645 ], [ 0, -0.00314944, 0.00280645 ], [ 0, -0.00104479, 0.00600444 ], [ 0, 0.00104479, -0.00600444 ] ]

0

8.224153

pbe

true

193a247cd7aea4ddb5d09acdc49de202_12_Ca2Ni6Sn4

[ "Cd", "Cl", "Rh" ]

4

A2BC

CdClRh2

Cd1 Rh2 Cl1

3

[ 1, 1, 1 ]

3

[ [ 0, 3.23893813, 3.23893813 ], [ 3.23893813, 0, 3.23893813 ], [ 3.23893813, 3.23893813, 0 ] ]

agm002661338

[ [ 0, 0, 0 ], [ 1.619469065, 1.619469065, 1.619469065 ], [ 4.858407195, 4.858407195, 4.858407195 ], [ 3.23893813, 3.23893813, 3.23893813 ] ]

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

[ "Cl", "Rh", "Rh", "Cd" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ 8.192334, 0, 0 ], [ 0, 8.192334, 0 ], [ 0, 0, 8.192334 ] ]

-15.350359

[ 0.176, 0.972, 0.972, -0.018 ]

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

2.107303

3.41907

pbe

true

b4f95bdb3d1fb572c0508ffa920f18fa_225_Cd1Rh2Cl1

[ "Cu", "Si", "Tl" ]

4

A2BC

CuSiTl2

Tl2 Cu1 Si1

3

[ 1, 1, 1 ]

3

[ [ 3.25877457, 0.0811672, 0 ], [ -0.07439854, 3.25893613, 0 ], [ 0, 0, 8.68556163 ] ]

agm004010606

[ [ 0, 0, 4.987263211133375 ], [ 1.592188015, 1.670051665, 5.865487446494962 ], [ 0, 0, 8.174239490039714 ], [ 1.592188015, 1.670051665, 2.6869139273319504 ] ]

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

[ "Cu", "Si", "Tl", "Tl" ]

2023-11-16 06:57:59

[ 0.25, 0.25, 0.5 ]

[ [ -1.8966379, -0.09200121, 0 ], [ -0.09200121, -1.9054265, 0 ], [ 0, 0, -2.6279383 ] ]

-13.332988

[ 0, 0, 0, 0 ]

[ [ 0, 0, -0.00880331 ], [ 0, 0, 0.00616062 ], [ 0, 0, 0.00075969 ], [ 0, 0, 0.001883 ] ]

0

1.421981

pbe

true

4e7e2531ee7a5763d8357b61aa6c3b98_99_Tl2Cu1Si1

[ "Er", "N", "Pm" ]

10

A5B4C

ErN5Pm4

Pm4 Er1 N5

3

[ 1, 1, 1 ]

3

[ [ 4.58774932, 0, 2.21279552 ], [ 2.29387468, 5.6452497, 1.10639773 ], [ -0.15861248, 4e-8, 6.19109515 ] ]

agm006132469

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

[ "Pm", "Pm", "Pm", "Pm", "Er", "N", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.1, 0.5, 0.4 ]

[ [ 0.6782984, -3e-8, -0.00895101 ], [ 3e-8, 0.69685644, -6e-8 ], [ -0.00895101, 6e-8, 0.69253904 ] ]

-80.079587

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

[ [ 0.00125879, 0.00037955, 0.00087367 ], [ 0.00152797, 0.00024005, 0.00031559 ], [ 0.00119819, -0.00024005, 0.00099931 ], [ 0.00146737, -0.00037955, 0.00044123 ], [ -0.00154712, 0, -0.00074622 ], [ -0.00136097, -0.00004972, -0.00105195 ], [ -0.00153733, -0.00035624, -0.00068629 ], [ -0.00149413, 0.00035624, -0.00077586 ], [ -0.00167049, 0.00004972, -0.00041021 ], [ 0.00215772, 0, 0.00104073 ] ]

0

0.697859

pbe

true

d5eee854df775f7d1f2243838d979be2_79_Pm4Er1N5

[ "Er", "Th", "Tm" ]

11

A7B2C2

Er2Th2Tm7

Er2 Tm7 Th2

3

[ 1, 1, 1 ]

3

[ [ 8.37721952, -1.40614776, 0.17919255 ], [ -1.71839561, 5.46779322, 1.52793153 ], [ -0.80165672, 1.40614776, 8.34070083 ] ]

agm005569702

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

[ "Er", "Er", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Tm", "Th", "Th" ]

2023-11-16 06:57:59

[ 0.18181818181818182, 0.18181818181818182, 0.6363636363636364 ]

[ [ 0.52508384, -0.00498719, 0.04006307 ], [ -0.00498722, 0.5055927, 0.00443439 ], [ 0.04006307, 0.00443436, 0.5345186 ] ]

-53.201763

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0.000012

15.952889

pbe

true

7246f9bcc4608cde896c2ff8c89a11fd_12_Er2Tm7Th2

[ "Ho", "Mg", "Nd" ]

18

A5B3C

Ho5Mg3Nd

Nd2 Ho10 Mg6

3

[ 1, 1, 1 ]

3

[ [ 7.27648988, -0.18971818, -0.19691425 ], [ 1.80949429, 7.05046299, -0.19691425 ], [ 2.7497475, 2.07630957, 11.57996394 ] ]

agm003564414

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

[ "Nd", "Nd", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Ho", "Mg", "Mg", "Mg", "Mg", "Mg", "Mg" ]

2023-11-16 06:57:59

[ 0.5555555555555556, 0.3333333333333333, 0.1111111111111111 ]

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-58.409128

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0.000001

21.435225

pbe

true

8454bf3d54328a098eab55aa8a9bb6e7_12_Nd2Ho10Mg6

[ "N", "Te", "Tl" ]

12

ABC

NTeTl

Tl4 Te4 N4

3

[ 1, 1, 1 ]

3

[ [ 4.4196138, 0, 0 ], [ 0, 8.78204184, -0.92819827 ], [ 0, -0.55608229, 11.4700336 ] ]

agm005609479

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

[ "Tl", "Tl", "Tl", "Tl", "Te", "Te", "Te", "Te", "N", "N", "N", "N" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

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-56.389738

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0

2.43474

pbe

true

6350609d9818921abd3a6988b60a243c_14_Tl4Te4N4

[ "Np", "Rh", "Ru" ]

3

ABC

NpRhRu

Np1 Ru1 Rh1

3

[ 1, 1, 1 ]

3

[ [ 3.54905228, 0, 0 ], [ -1.77452614, 3.07356944, 0 ], [ 0, 0, 5.03169094 ] ]

agm001261930

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

[ "Np", "Ru", "Rh" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 8.072883, 0, 0 ], [ 0, 8.072883, 0 ], [ 0, 0, 7.6878405 ] ]

-29.213425

[ 2.474, -0.356, -0.172 ]

[ [ 0, 0, 0.00149676 ], [ 0, 0, 0.01444679 ], [ 0, 0, -0.01594355 ] ]

2.040146

5.517419

pbe

true

ac3e26ed1f9d3df2fe69812788941163_156_Np1Ru1Rh1

[ "Nd", "Pr", "Sc" ]

15

A10B4C

Nd10PrSc4

Pr1 Nd10 Sc4

3

[ 1, 1, 1 ]

3

[ [ 6.42387357, 0, 2.90066025 ], [ 3.21193664, 8.60689561, 1.45033144 ], [ -0.33009617, -0.00000145, 9.29460605 ] ]

agm006000295

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

[ "Pr", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Nd", "Sc", "Sc", "Sc", "Sc" ]

2023-11-16 06:57:59

[ 0.6666666666666666, 0.06666666666666667, 0.26666666666666666 ]

[ [ 0.89083046, 4.1e-7, -0.10304316 ], [ -2.9e-7, 1.1190325, 7.7e-7 ], [ -0.10304316, -7.7e-7, 1.0725043 ] ]

-70.007733

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1.24707

26.012934

pbe

true

737205ce077bae8907158d4918697201_87_Pr1Nd10Sc4

[ "Os", "Ru", "W" ]

3

ABC

OsRuW

Os1 Ru1 W1

3

[ 1, 1, 1 ]

3

[ [ 4.92709047, -0.1162628, -4e-8 ], [ 2.90156303, 3.98380088, -4e-8 ], [ -3.91432778, -1.93376955, 2.28654972 ] ]

agm004349225

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

[ "Os", "Ru", "W" ]

2023-11-16 06:57:59

[ 0.3333333333333333, 0.3333333333333333, 0.3333333333333333 ]

[ [ 12.99614, -0.29372993, -0.00000624 ], [ -0.29372993, 13.445597, -0.00000308 ], [ -0.00000624, -0.00000308, 13.590676 ] ]

-32.31224

[ 0.213, 0.444, 0 ]

[ [ -0.02913576, -0.01439375, 0 ], [ 0.01494167, 0.00738153, 0 ], [ 0.01419409, 0.00701221, 0 ] ]

0.667343

4.294354

pbe

true

0252f0b46f31ba6d986a37bd41ef85b9_107_Os1Ru1W1

[ "Ag", "Ba", "Sb", "Sn" ]

10

A4B3C2D

Ag3Ba2Sb4Sn

Ba2 Ag3 Sn1 Sb4

4

[ 1, 1, 1 ]

3

[ [ 5.14513209, 0, 0 ], [ 0, 5.14513209, 0 ], [ 0, 0, 11.17341106 ] ]

agm004525943

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

[ "Ba", "Ba", "Ag", "Ag", "Ag", "Sn", "Sb", "Sb", "Sb", "Sb" ]

2023-11-16 06:57:59

[ 0.3, 0.2, 0.4, 0.1 ]

[ [ 1.4364481, 0, 0 ], [ 0, 1.4364481, 0 ], [ 0, 0, 1.441169 ] ]

-37.401572

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

[ [ 0, 0, -0.00377811 ], [ 0, 0, 0.00377811 ], [ 0, 0, 0 ], [ 0, 0, 0.00027627 ], [ 0, 0, -0.00027627 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, 0 ], [ 0, 0, -0.00102101 ], [ 0, 0, 0.00102101 ] ]

0.000001

1.268863

pbe

true

7c1e6bd54078c95c1d6cc000cb5f4f27_115_Ba2Ag3Sn1Sb4

[ "Cl", "Co", "Cs", "Tc" ]

12

A8B2CD

Cl8Co2CsTc

Cs1 Co2 Tc1 Cl8

4

[ 1, 1, 1 ]

3

[ [ 7.03806105, 0, 0 ], [ 3.51903053, 6.09513966, 0 ], [ 3.51903052, 2.03171322, 9.40889726 ] ]

agm004916939

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

2023-11-16 06:57:59

[ 0.6666666666666666, 0.16666666666666666, 0.08333333333333333, 0.08333333333333333 ]

[ [ 0.324006, 0, 0 ], [ 0, 0.324006, 0 ], [ 0, 0, 0.27502403 ] ]

-49.000154

[ 0, 2.318, 2.318, 1.859, 0.124, 0.124, 0.099, 0.099, 0.099, 0.099, 0.099, 0.099 ]

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8.000149

2.174034

pbe

true

5ee89ba32289b8da79b9a85f0ade8d51_166_Cs1Co2Tc1Cl8

[ "Er", "Pm", "Sm", "Y" ]

9

A4B2C2D

ErPm4Sm2Y2

Pm4 Sm2 Y2 Er1

4

[ 1, 1, 1 ]

3

[ [ 5.11280503, 0, 0 ], [ -2.55640252, 7.67711449, 0.02981671 ], [ 0, -2.59323721, 7.63389274 ] ]

agm004558470

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

[ "Pm", "Pm", "Pm", "Pm", "Sm", "Sm", "Y", "Y", "Er" ]

2023-11-16 06:57:59

[ 0.1111111111111111, 0.4444444444444444, 0.2222222222222222, 0.2222222222222222 ]

[ [ 1.2368945, 0, 0 ], [ 0, 1.2308596, -0.0023531 ], [ 0, -0.00235303, 1.2382634 ] ]

-45.765556

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

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0.000025

14.018269

pbe

true

4365ebff0a49d9dbdda9ff859e51abce_12_Pm4Sm2Y2Er1

[ "Ge", "Pr", "Sb", "Se" ]

8

A4B2CD

GePr4SbSe2

Pr4 Ge1 Sb1 Se2

4

[ 1, 1, 1 ]

3

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agm004810412

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[ "Pr", "Pr", "Pr", "Pr", "Ge", "Sb", "Se", "Se" ]

2023-11-16 06:57:59

[ 0.125, 0.5, 0.125, 0.25 ]

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A2BCD

IKOW2

K1 W2 I1 O1

4

[ 1, 1, 1 ]

3

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agm001492660

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[ "I", "K", "O", "W", "W" ]

2023-11-16 06:57:59

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2.832923

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[ "Li", "Nd", "Sc", "Tc" ]

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ABCD

LiNdScTc

Li1 Nd1 Sc1 Tc1

4

[ 1, 1, 1 ]

3

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agm001378965

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[ "Sc", "Nd", "Tc", "Li" ]

2023-11-16 06:57:59

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NaO8TmW2

Na1 Tm1 W2 O8

4

[ 1, 1, 1 ]

3

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[ "Na", "Tm", "W", "W", "O", "O", "O", "O", "O", "O", "O", "O" ]

2023-11-16 06:57:59

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-87.58679

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0

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10

A2BCD

NdPr2TbY

Tb2 Pr4 Nd2 Y2

4

[ 1, 1, 1 ]

3

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agm004994180

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[ "Tb", "Tb", "Pr", "Pr", "Pr", "Pr", "Nd", "Nd", "Y", "Y" ]

2023-11-16 06:57:59

[ 0.2, 0.4, 0.2, 0.2 ]

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-48.214519

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12.399925

pbe

true

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12

A6B3C2D

Dy2Sm3TbY6

Tb1 Sm3 Dy2 Y6

4

[ 1, 1, 1 ]

3

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agm004633285

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[ "Tb", "Sm", "Sm", "Sm", "Dy", "Dy", "Y", "Y", "Y", "Y", "Y", "Y" ]

2023-11-16 06:57:59

[ 0.16666666666666666, 0.25, 0.08333333333333333, 0.5 ]

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16.587112

pbe

true

5d88ec76f46224e3c14d215d198bde5b_12_Tb1Sm3Dy2Y6

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12

A6B3C2D

Er3Nd2PmPr6

Pm1 Pr6 Nd2 Er3

4

[ 1, 1, 1 ]

3

[ [ 6.34716829, -0.00202041, 0.00646028 ], [ -3.17378929, 5.4966909, 0.00646028 ], [ -1.06753488, -1.84842479, 11.81424566 ] ]

agm004657254

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[ "Pm", "Pr", "Pr", "Pr", "Pr", "Pr", "Pr", "Nd", "Nd", "Er", "Er", "Er" ]

2023-11-16 06:57:59

[ 0.25, 0.16666666666666666, 0.08333333333333333, 0.5 ]

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-56.470878

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14.975215

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