elements listlengths 1 9 | nsites int32 1 444 | chemical_formula_anonymous stringlengths 1 18 | chemical_formula_reduced stringlengths 1 23 | chemical_formula_descriptive stringlengths 2 34 | nelements int8 1 9 | dimension_types listlengths 3 3 | nperiodic_dimensions int8 3 3 | lattice_vectors listlengths 3 3 | immutable_id stringlengths 4 13 ⌀ | cartesian_site_positions listlengths 1 444 | species stringlengths 138 1.25k | species_at_sites listlengths 1 444 | last_modified stringlengths 19 19 | elements_ratios listlengths 1 9 | stress_tensor listlengths 0 3 | energy float64 -2,749.01 5.19k | magnetic_moments listlengths 0 444 | forces listlengths 0 444 | total_magnetization float64 -340.3 383 ⌀ | dos_ef float64 -14.23 392 ⌀ | functional stringclasses 1
value | cross_compatibility bool 1
class | entalpic_fingerprint stringlengths 37 62 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Be",
"Co",
"Re"
] | 4 | A2BC | BeCo2Re | Be1 Co2 Re1 | 3 | [
1,
1,
1
] | 3 | [
[
4.66221538,
-0.00757838,
-0.00475365
],
[
2.10995359,
4.15745179,
0.00475364
],
[
-2.89740503,
-2.87241589,
2.25623648
]
] | agm004113889 | [
[
0.6101218491063531,
-0.7230612895840363,
2.2562364748206742
],
[
6.571924195603244,
4.02716671611186,
-9.704312200207218e-9
],
[
1.2795854695974564,
1.667895438826294,
1.1304950575291355
],
[
2.673980782971258,
-0.3421491618528527,
1.1257414123545026
]... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Be", "attached"... | [
"Re",
"Co",
"Co",
"Be"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
3.6786635,
-0.22556844,
-0.00884556
],
[
-0.22556844,
3.9085433,
0.01442731
],
[
-0.00884556,
0.01442731,
4.0608616
]
] | -30.39398 | [
-0.006,
0.367,
-0.028,
-0.002
] | [
[
0.00443002,
0.00271464,
0
],
[
-0.00288945,
-0.00177061,
0
],
[
-0.00159054,
-0.00097466,
0
],
[
0.00004997,
0.00003062,
0
]
] | 0.326121 | 2.958516 | pbe | true | ad959fa1f6a392f0cb6b6515c7b0f4c3_44_Be1Co2Re1 |
[
"Be",
"Co",
"Sr"
] | 4 | A2BC | Be2CoSr | Sr1 Be2 Co1 | 3 | [
1,
1,
1
] | 3 | [
[
4.38125256,
0,
0
],
[
0,
3.89683823,
0
],
[
0,
0,
3.89683823
]
] | agm004091687 | [
[
2.19062628,
0,
1.948419115
],
[
2.19062628,
1.948419115,
0
],
[
0,
0,
0
],
[
0,
1.948419115,
1.948419115
]
] | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Co",
"Be",
"Be"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.383003,
0,
0
],
[
0,
1.4080389,
0
],
[
0,
0,
1.4080389
]
] | -12.282668 | [
-0.027,
0.504,
-0.012,
-0.012
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.400337 | 3.248874 | pbe | true | b66245d89806e108fe0d78ca978d86c5_123_Sr1Be2Co1 |
[
"Be",
"Co",
"Ti"
] | 9 | A6B2C | Be6Co2Ti | Ti1 Be6 Co2 | 3 | [
1,
1,
1
] | 3 | [
[
2.75378638,
0,
0
],
[
1.37689319,
6.00122696,
1.05832855
],
[
1.37689319,
2.22205515,
5.67426253
]
] | agm003502976 | [
[
0,
0,
0
],
[
2.75378775689319,
1.4737293040263328,
3.5849768571118794
],
[
2.75378500310681,
6.749552805973668,
3.1476142228881203
],
[
2.75378500310681,
4.417944384395,
5.995473775804065
],
[
2.75378638,
4.734392410794904,
2.605658212874... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ti", "attached"... | [
"Ti",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.2222222222222222,
0.1111111111111111
] | [
[
2.2721834,
0,
0
],
[
0,
1.1259035,
0.30094987
],
[
0,
0.30094987,
1.0047137
]
] | -45.321197 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0.00083343,
0.00124964
],
[
0,
-0.00083343,
-0.00124964
],
[
0,
-0.00138956,
-0.00057038
],
[
0,
0.00179993,
-0.00219847
],
[
0,
-0.00179993,
0.00219847
],
[
0,
0.00138956,
0.00057038
],
... | 0.000662 | 5.584983 | pbe | true | d41ba624b9689dd3a1be6b7e76d52768_71_Ti1Be6Co2 |
[
"Be",
"Cr",
"O"
] | 8 | A2BC | BeCrO2 | Be2 Cr2 O4 | 3 | [
1,
1,
1
] | 3 | [
[
4.6239274,
0,
0
],
[
0,
4.6239274,
0
],
[
2.3119637,
2.3119637,
3.59077676
]
] | agm002800723 | [
[
0,
0,
0
],
[
4.6239274,
2.3119637,
1.79538838
],
[
3.1103845962025662,
1.15598185,
0.89769419
],
[
1.513542803797434,
3.46794555,
0.89769419
],
[
3.4679455500000005,
3.8255065037974343,
2.6930825699999996
],
[
5.77990925,
5.42... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Be", "attached": ... | [
"Cr",
"Cr",
"O",
"O",
"O",
"O",
"Be",
"Be"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.6845462,
0,
0
],
[
0,
1.6845462,
0
],
[
0,
0,
0.6972238
]
] | -58.174392 | [
3.789,
3.79,
-0.009,
-0.002,
-0.01,
-0.003,
0.012,
0.012
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00208091,
0,
0
],
[
-0.00208091,
0,
0
],
[
0,
-0.00208091,
0
],
[
0,
0.00208091,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 8.000001 | 0 | pbe | true | 6b21ce37f0e6a0a673c6cd6152c13849_122_Be2Cr2O4 |
[
"Be",
"Dy",
"Zn"
] | 13 | A11BC | BeDyZn11 | Dy1 Be1 Zn11 | 3 | [
1,
1,
1
] | 3 | [
[
4.79213092,
-0.00531496,
1.99647665
],
[
2.33717057,
6.15451211,
0.97370153
],
[
0.02739056,
-0.00265795,
6.68375621
]
] | agm005701717 | [
[
0,
0,
0
],
[
3.564650745,
3.074598575,
1.48508909
],
[
1.930447225127797,
1.3685281873605557,
2.2265722995803654
],
[
5.226244824872204,
4.778011012639444,
7.427362090419635
],
[
4.189011788923428,
4.780668762263291,
3.167525455891747
]... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Zn", "attached"... | [
"Dy",
"Be",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.07692307692307693,
0.07692307692307693,
0.8461538461538461
] | [
[
5.7259026,
0.04349396,
-0.04545863
],
[
0.04349394,
5.7825947,
0.01811952
],
[
-0.04545863,
0.01811953,
5.8160796
]
] | -24.390917 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00430654,
0.00123812,
0.00371921
],
[
0.00430654,
-0.00123812,
-0.00371921
],
[
0.00039206,
-0.00123812,
0.00567672
],
[
-0.00039206,
0.00123812,
-0.00567672
],
[
0.00058822,
-0.000... | 0 | 1.598107 | pbe | true | 505560c82a98593278e98c6938e43f2d_12_Dy1Be1Zn11 |
[
"Be",
"Er",
"Ir"
] | 19 | A17BC | Be17ErIr | Er1 Be17 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
5.58950069,
-0.00454705,
0.65435547
],
[
0.58169376,
5.55915148,
0.65435448
],
[
-0.0050521,
-0.00454706,
5.62767069
]
] | agm005766044 | [
[
4.046627787283819,
3.6423123404637825,
4.552108765539854
],
[
1.6205896492336735,
0.046103431619132794,
4.149071055101117
],
[
4.0952073731813075,
1.606817072565951,
0.7004573298659382
],
[
0.45808420620281004,
3.904102520817708,
2.095557828918984
],
... | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Be", "attached"... | [
"Er",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Ir"
] | 2023-11-16 06:57:59 | [
0.8947368421052632,
0.05263157894736842,
0.05263157894736842
] | [
[
-0.45900956,
-0.29802713,
-0.37246993
],
[
-0.29802713,
-0.39614984,
-0.3352549
],
[
-0.37246993,
-0.3352549,
-0.5468966
]
] | -79.263235 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00031499,
0.00028352,
0.00035433
],
[
0.0012902,
0.00127434,
-0.00212691
],
[
-0.00227661,
0.00114943,
0.00114376
],
[
0.00102993,
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0.00103211
],
[
0.00090432,
-0.0023846,
0.00114376
],
[
0.00140263,
0.00114943,
... | -0.000001 | 4.704072 | pbe | true | 595005f0432d9c5bc31900df2933f46c_160_Er1Be17Ir1 |
[
"Be",
"Ge",
"O"
] | 5 | A3BC | BeGe3O | Be1 Ge3 O1 | 3 | [
1,
1,
1
] | 3 | [
[
4.38952273,
0,
0
],
[
0,
4.38952273,
0
],
[
0,
0,
4.38952273
]
] | agm002421466 | [
[
0,
0,
0
],
[
0,
2.194761365,
0
],
[
0,
0,
2.194761365
],
[
2.194761365,
0,
0
],
[
2.194761365,
2.194761365,
2.194761365
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Be", "attached": ... | [
"Be",
"Ge",
"Ge",
"Ge",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.0691603,
0,
0
],
[
0,
0.0691603,
0
],
[
0,
0,
0.0691603
]
] | -19.549811 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 1.669395 | pbe | true | a36c486010bc316a9b2f5705e7670234_221_Be1Ge3O1 |
[
"Be",
"Hg",
"K"
] | 3 | ABC | BeHgK | K1 Be1 Hg1 | 3 | [
1,
1,
1
] | 3 | [
[
5.45939224,
0,
0
],
[
2.72969612,
4.72797237,
0
],
[
2.72969612,
1.57599079,
4.4575751
]
] | agm003971981 | [
[
0,
0,
0
],
[
8.18908836,
4.72797237,
3.3431813249999998
],
[
5.45939224,
3.15198158,
2.22878755
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Be", "attached": ... | [
"Be",
"K",
"Hg"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.18934155,
0,
0
],
[
0,
0.18934155,
0
],
[
0,
0,
0.18934155
]
] | -2.43258 | [
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000104 | 2.196807 | pbe | true | 3c93b64d66077c3673d3c9e8d7f65ac1_216_K1Be1Hg1 |
[
"Be",
"In",
"W"
] | 4 | A2BC | Be2InW | Be2 In1 W1 | 3 | [
1,
1,
1
] | 3 | [
[
8.5516474,
-0.01586436,
-0.0093332
],
[
8.07286033,
2.82132079,
-0.0093332
],
[
8.07286033,
1.36232954,
2.47062671
]
] | agm004289954 | [
[
0.1325117525364852,
0.0223619221991574,
0.013155796886480199
],
[
12.216172277463514,
2.0615310628008428,
1.2128243581135196
],
[
18.523026044999998,
3.1258394775,
1.8389702325
],
[
6.174342014999999,
1.0419464925,
0.6129900775
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Be", "attached": ... | [
"Be",
"Be",
"W",
"In"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-0.14226425,
-0.11245596,
-0.06615924
],
[
-0.11245596,
0.5051472,
-0.01116465
],
[
-0.06615924,
-0.01116465,
0.5175563
]
] | -20.862795 | [
0,
0,
0,
0
] | [
[
-0.00559738,
-0.00094458,
-0.00055571
],
[
0.00559738,
0.00094458,
0.00055571
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000002 | 1.530197 | pbe | true | a595f2c4c0e844e0ca97d77648eefbfc_166_Be2In1W1 |
[
"Be",
"K",
"Re"
] | 6 | A4BC | BeKRe4 | K1 Be1 Re4 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.75530609,
3.75530609
],
[
3.75530609,
0,
3.75530609
],
[
3.75530609,
3.75530609,
0
]
] | agm005483087 | [
[
0,
0,
0
],
[
5.632959135,
5.632959135,
5.632959135
],
[
2.8198923145684702,
4.6907198654315305,
4.6907198654315305
],
[
4.69071986543153,
4.69071986543153,
2.8198923145684702
],
[
4.6907198654315305,
2.8198923145684702,
4.69071986543153
... | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Be", "attached": ... | [
"K",
"Be",
"Re",
"Re",
"Re",
"Re"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
[
0.54758286,
0,
0
],
[
0,
0.54758286,
0
],
[
0,
0,
0.54758286
]
] | -47.393134 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00033635,
-0.00033635,
-0.00033635
],
[
-0.00033635,
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0.00033635
],
[
-0.00033635,
0.00033635,
-0.00033635
],
[
0.00033635,
0.00033635,
0.00033635
]
] | -0.000034 | 5.80801 | pbe | true | 90575d2e8893a0ceeae15a8f00096eaf_216_K1Be1Re4 |
[
"Be",
"Mg",
"Os"
] | 3 | ABC | BeMgOs | Mg1 Be1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
2.79352452,
0,
0
],
[
-1.39676226,
2.4192632,
0
],
[
0,
0,
6.28377843
]
] | agm004414564 | [
[
0,
0,
6.103457678903681
],
[
-1.3967622669785432e-8,
1.612842141397544,
2.0801136439578816
],
[
1.3967622739676229,
0.8064210586024559,
4.383985537138438
]
] | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Os", "attached"... | [
"Be",
"Mg",
"Os"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.877803,
0,
0
],
[
0,
1.877803,
0
],
[
0,
0,
2.1286793
]
] | -15.728558 | [
0,
0,
0
] | [
[
0,
0,
-0.00202535
],
[
0,
0,
-0.00041188
],
[
0,
0,
0.00243723
]
] | -0 | 1.289262 | pbe | true | 242825e9d689785bb987bf520edeb508_156_Mg1Be1Os1 |
[
"Be",
"Mo",
"Pd"
] | 5 | A3BC | Be3MoPd | Be3 Mo1 Pd1 | 3 | [
1,
1,
1
] | 3 | [
[
4.05029688,
0,
0
],
[
0,
4.05029688,
0
],
[
0,
0,
4.05029688
]
] | agm002415274 | [
[
0,
2.02514844,
0
],
[
0,
0,
2.02514844
],
[
2.02514844,
0,
0
],
[
2.02514844,
2.02514844,
2.02514844
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pd", "attached"... | [
"Be",
"Be",
"Be",
"Mo",
"Pd"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
-0.8136951,
0,
0
],
[
0,
-0.8136951,
0
],
[
0,
0,
-0.8136951
]
] | -24.000581 | [
-0.002,
-0.002,
-0.001,
0.025,
0.002
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.016879 | 1.866085 | pbe | true | 698acdcd996a73e44286d603b68f1fb6_221_Be3Mo1Pd1 |
[
"Be",
"N",
"Ti"
] | 8 | A2BC | BeN2Ti | Ti2 Be2 N4 | 3 | [
1,
1,
1
] | 3 | [
[
5.29935815,
-6.7e-7,
0
],
[
-0.00002186,
5.29909718,
0
],
[
0,
0,
15.47526568
]
] | agm2000085246 | [
[
5.299336755142817,
2.347328643830341,
7.890740166552902
],
[
2.649646803135962,
4.9968776748122785,
7.890740011800245
],
[
3.9739798305371594,
3.6730990187190726,
7.822165240755745
],
[
1.3253249094910422,
3.6730998834993063,
7.822151467769291
],
[
... | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ti", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ti"]}, {"mass": null, "name": "N", "attached":... | [
"Be",
"Be",
"N",
"N",
"N",
"N",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.037146,
-1.4e-7,
1e-8
],
[
-1.4e-7,
0.03376592,
-0.00197188
],
[
1e-8,
-0.00197094,
-0.47540465
]
] | -59.574821 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-2e-8,
0.00458251,
-0.00135035
],
[
-2e-8,
0.00458251,
-0.00135035
],
[
-0.0000873,
-0.00118052,
0.00020658
],
[
0.00008731,
-0.00118052,
0.00020658
],
[
-0.0000873,
-0.00118052,
0.00020658
],
[
0.00008731,
-0.00118052,
0.... | -0.000039 | 2.140342 | pbe | true | bf5759639a96996187c335210b7f2f66_99_Ti2Be2N4 |
[
"Be",
"Na",
"Ta"
] | 6 | ABC | BeNaTa | Na2 Ta2 Be2 | 3 | [
1,
1,
1
] | 3 | [
[
4.03972612,
-0.00230135,
0.00847295
],
[
-2.01925917,
3.49811901,
-0.03274188
],
[
2.00455494,
1.23597699,
9.37743299
]
] | agm003045416 | [
[
1.7184167801341466,
1.0146408210109625,
1.338894875454081
],
[
1.7039286862779366,
1.066402727307482,
7.976842475705746
],
[
1.7168473424236241,
3.359971148159502,
3.1116520603531304
],
[
1.7117529336955937,
1.0436331721666154,
4.7284262318611185
],
... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Be", "attached"... | [
"Na",
"Na",
"Be",
"Be",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.3304056,
-0.07377189,
-0.1183226
],
[
-0.07377144,
1.2514315,
-0.06736927
],
[
-0.11832257,
-0.06736939,
0.8987348
]
] | -30.640689 | [
0,
0,
0,
0,
0,
0
] | [
[
0.00272777,
0.00029215,
0.00481964
],
[
0.00006803,
0.00346574,
-0.00388805
],
[
-0.00509541,
0.00391748,
-0.00737909
],
[
0.00395185,
-0.00404249,
0.00687053
],
[
0.0026916,
-0.00018976,
-0.00793988
],
[
-0.00434385,
-0.00344... | 0 | 1.292597 | pbe | true | 9a541e01ba2f66e9e721f49cedb745f8_160_Na2Ta2Be2 |
[
"Be",
"Pb",
"Te"
] | 4 | A2BC | Be2PbTe | Be2 Te1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.97418577,
0,
0
],
[
2.48709289,
4.30777124,
0
],
[
2.48709289,
1.43592375,
4.06140568
]
] | agm004243884 | [
[
4.974185775,
2.871847495,
2.03070284
],
[
0,
0,
0
],
[
2.4870928875,
1.4359237475,
1.01535142
],
[
7.4612786625,
4.307771242499999,
3.04605426
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Te", "attached"... | [
"Pb",
"Be",
"Be",
"Te"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.09153702,
0,
0
],
[
0,
0.09153702,
0
],
[
0,
0,
0.09153702
]
] | -10.209575 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000028 | 2.846452 | pbe | true | e5d969db5509733154618b9286111ef5_216_Be2Te1Pb1 |
[
"Be",
"Pd",
"Se"
] | 6 | A3B2C | Be2PdSe3 | Be2 Pd1 Se3 | 3 | [
1,
1,
1
] | 3 | [
[
4.24652972,
-0.27575246,
0
],
[
0.23291375,
3.58840521,
0
],
[
0,
0,
20.13239879
]
] | agm2000051919 | [
[
1.2709829777936985,
2.8962622971101544,
11.869432987797826
],
[
1.270982984781111,
2.89626240476231,
8.262966003526163
],
[
0.1249361731403167,
1.1694107082671923,
10.066199193676011
],
[
0.2999176387883067,
1.1575557335072029,
12.632398759025957
],
... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pd", "attached"... | [
"Be",
"Be",
"Pd",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.5
] | [
[
0.35208684,
0.00907395,
0
],
[
0.00907393,
0.36400408,
0
],
[
0,
0,
0.10372897
]
] | -25.423127 | [
0,
0,
0,
0,
0,
0
] | [
[
0.00764395,
-0.00182259,
0.00346796
],
[
0.00764395,
-0.00182259,
-0.00346796
],
[
-0.00345035,
0.00017946,
0
],
[
-0.00320983,
0.00111797,
0.00106404
],
[
-0.00320983,
0.00111797,
-0.00106404
],
[
-0.00541789,
0.00122978,
... | -0.000017 | 1.826737 | pbe | true | 429a56f248881571d86a5370e7736e2e_25_Be2Pd1Se3 |
[
"Be",
"Pd",
"Zn"
] | 10 | A2B2C | BePd2Zn2 | Be2 Zn4 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
6.34697812,
0,
0
],
[
0,
6.34697812,
0
],
[
0,
0,
3.52565814
]
] | agm002963256 | [
[
0,
0,
0
],
[
3.17348906,
3.17348906,
0
],
[
2.3011699711241613,
5.474659031124162,
0
],
[
5.474659031124162,
4.045808148875839,
0
],
[
4.045808148875839,
0.8723190888758388,
0
],
[
0.8723190888758388,
2.3011699711241613,
0... | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Zn", "attached"... | [
"Be",
"Be",
"Zn",
"Zn",
"Zn",
"Zn",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
6.5234885,
0,
0
],
[
0,
6.5234885,
0
],
[
0,
0,
14.660993
]
] | -34.875622 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00500321,
0.00500321,
0
],
[
0.00500321,
-0.00500321,
0
],
[
-0.00500321,
-0.00500321,
0
],
[
-0.00500321,
0.00500321,
0
],
[
0.00652108,
0.00652108,
0
],
[
0.00652108,
... | 0 | 4.556619 | pbe | true | f38275514d71377918ad97f0295c891c_127_Be2Zn4Pd4 |
[
"Be",
"Pm",
"Rh"
] | 5 | A2B2C | Be2PmRh2 | Pm1 Be2 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
3.86621573,
0,
-1.54212568
],
[
-0.61511099,
3.81697095,
-1.5421257
],
[
-0.10417167,
-0.12230316,
5.35633203
]
] | agm005831525 | [
[
0,
0,
0
],
[
2.070299993812506,
2.430642973312007,
-0.42711272418178275
],
[
1.076633076187494,
1.2640248166879922,
2.6991933741817826
],
[
2.6937982149999997,
0.8930911575,
1.13604033
],
[
0.45313485500000006,
2.8015766324999998,
1.13604... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
"Be",
"Be",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
5.119008,
-0.05861912,
-0.12517497
],
[
-0.05861912,
5.1001163,
-0.1469622
],
[
-0.12517497,
-0.1469622,
4.855114
]
] | -30.042323 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0.00145131,
0.00170391,
0.00363853
],
[
-0.00145131,
-0.00170391,
-0.00363853
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 1.869029 | pbe | true | e66b87603132ebd29f86ad67b9557861_139_Pm1Be2Rh2 |
[
"Be",
"Pt",
"Se"
] | 4 | A2BC | Be2PtSe | Be2 Pt1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
3.85077055,
-0.08560052,
0.02560539
],
[
2.76534319,
2.68116361,
0.02560539
],
[
-1.18754373,
-0.46588447,
5.67955454
]
] | agm004077403 | [
[
6.395996376502161,
2.50920899678543,
0.3404543588203568
],
[
1.5476297695759054,
0.6071495853295632,
1.3030313364077504
],
[
3.42068766513323,
1.3419676596240249,
4.8290869609115274
],
[
3.3946548776275653,
1.3317547523053515,
2.1747861033482567
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Pt", "attached"... | [
"Be",
"Be",
"Se",
"Pt"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.12234579,
-0.19051869,
0.18817715
],
[
-0.19051869,
0.5332374,
0.07382366
],
[
0.18817768,
0.07382385,
0.21013433
]
] | -17.85173 | [
0,
0,
0,
0
] | [
[
-0.00013819,
-0.00005421,
0.0043908
],
[
-0.00091086,
-0.00035734,
-0.00023717
],
[
-0.00054462,
-0.00021366,
-0.00122895
],
[
0.00159367,
0.00062521,
-0.00292469
]
] | 0 | 0.729103 | pbe | true | 228694504c89215c361ccad1141997a6_8_Be2Pt1Se1 |
[
"Be",
"Rb",
"Te"
] | 4 | A2BC | BeRbTe2 | Rb1 Be1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
3.89383561,
0,
4.06810359
],
[
-1.94691781,
3.37216056,
4.06810359
],
[
-1.94691781,
-3.37216056,
4.06810359
]
] | agm002756942 | [
[
0,
0,
0
],
[
-8.182768778658226e-9,
1.3688333636960123e-16,
9.986505461469106
],
[
-1.817231048071435e-9,
-8.43498885569147e-18,
2.2178053085308944
],
[
-4.999999969612645e-9,
0,
6.102155385
]
] | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "Te", "attached"... | [
"Be",
"Te",
"Te",
"Rb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
-0.00211237,
0,
0
],
[
0,
-0.00211237,
0
],
[
0,
0,
-0.03222142
]
] | -11.913254 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0.00339449
],
[
0,
0,
-0.00339449
],
[
0,
0,
0
]
] | 0 | 3.542482 | pbe | true | 98916ae3f4350e24fc8144b5138da326_166_Rb1Be1Te2 |
[
"Be",
"Sc",
"Se"
] | 3 | ABC | BeScSe | Sc1 Be1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
4.3699671,
0,
0
],
[
2.18498355,
3.78450253,
0
],
[
2.18498355,
1.26150084,
3.5680632
]
] | agm004065452 | [
[
4.3699671,
2.523001685,
1.7840316
],
[
0,
0,
0
],
[
6.55495065,
3.7845025275,
2.6760474
]
] | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Be",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.54846764,
0,
0
],
[
0,
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[
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] | -13.423923 | [
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0,
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[
0,
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[
0,
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0
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] | 0.004391 | 4.417366 | pbe | true | 68bf1ce5f437599783d745bad32c645f_216_Sc1Be1Se1 |
[
"Be",
"Si",
"Te"
] | 12 | ABC | BeSiTe | Be4 Si4 Te4 | 3 | [
1,
1,
1
] | 3 | [
[
5.84357157,
0,
-0.00077765
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[
0,
13.02310037,
0
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[
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0,
3.5269035
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] | agm002040207 | [
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... | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Te", "attached"... | [
"Be",
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"Si",
"Si",
"Si",
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"Te",
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] | 2023-11-16 06:57:59 | [
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... | 0 | -0.005104 | pbe | true | 496d9cfe3b68ee1fbe29d3cd7f6b3daa_9_Be4Si4Te4 |
[
"Bi",
"Cd",
"Sb"
] | 6 | ABC | BiCdSb | Cd2 Bi2 Sb2 | 3 | [
1,
1,
1
] | 3 | [
[
4.71847035,
0,
0
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[
-1.40999441,
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0
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[
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[
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"Sb",
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0.3333333333333333,
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[
0.00228516,
-0.0015... | -0.000002 | 1.932371 | pbe | true | a555ec95b136156bb2a43b9c18b460e5_1_Cd2Bi2Sb2 |
[
"Bi",
"Co",
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] | 5 | A2B2C | BiCo2S2 | Co2 Bi1 S2 | 3 | [
1,
1,
1
] | 3 | [
[
3.45710663,
0,
0
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[
0,
3.45710663,
0
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[
1.72855331,
1.72855331,
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] | agm002942067 | [
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1.728553313306705,
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Co", "attached": ... | [
"S",
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"Co",
"Co",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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] | -27.402253 | [
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[
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[
0,
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[
0,
0,
0
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] | 0 | 2.495383 | pbe | true | df7fdb59dd634d1b26f8b81e55efa138_139_Co2Bi1S2 |
[
"Bi",
"Cr",
"Se"
] | 16 | A2BC | BiCrSe2 | Cr4 Bi4 Se8 | 3 | [
1,
1,
1
] | 3 | [
[
6.39514453,
0,
0
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[
0,
3.6106735,
0
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[
0,
0,
16.82079306
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] | agm003060314 | [
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[
6.1993397854... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Bi", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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[
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[
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0.02191481,
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[
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... | 12.136884 | 9.341303 | pbe | true | 8d30db5a3dca7984a8558859dc714ac3_62_Cr4Bi4Se8 |
[
"Bi",
"Cu",
"Dy"
] | 11 | A7B2C2 | Bi2Cu2Dy7 | Dy7 Cu2 Bi2 | 3 | [
1,
1,
1
] | 3 | [
[
4.03306779,
0,
0
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[
2.0165339,
9.21081639,
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[
2.0165339,
4.16639406,
8.21780537
]
] | agm003320506 | [
[
4.033067812066941,
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[
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[
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2.0890935628793956
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[
4.033067... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached"... | [
"Dy",
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"Dy",
"Dy",
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"Dy",
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"Cu",
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] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.18181818181818182,
0.6363636363636364
] | [
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[
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] | -52.038921 | [
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[
0,
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[
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0.00117439,
... | -0.000069 | 11.280877 | pbe | true | 56061c50dad0c63b7824fd6776aff4b3_44_Dy7Cu2Bi2 |
[
"Bi",
"Cu",
"In"
] | 5 | A3BC | BiCu3In | In1 Cu3 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
5.04818473,
0,
0
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[
0,
5.04818473,
0
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[
0,
0,
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] | agm002461858 | [
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached"... | [
"Bi",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
0,
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[
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] | -15.462323 | [
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[
0,
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[
0,
0,
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[
0,
0,
0
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] | 0 | 2.418419 | pbe | true | 53f8c7600200abddb15b7d6319e9b9bb_221_In1Cu3Bi1 |
[
"Bi",
"Cu",
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] | 80 | A12B5C3 | Bi3Cu5Se12 | Cu20 Bi12 Se48 | 3 | [
1,
1,
1
] | 3 | [
[
13.56858794,
0,
0
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[
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12.79258739,
0
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[
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] | agm001819277 | [
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[
1.13071566,
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[
10.176440953750001,
... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached"... | [
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0.15,
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0,
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[
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] | -299.201463 | [
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[
0,
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[
0,
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[
0,
0,
0
],... | -0.001248 | 79.90857 | pbe | true | fcc7c2fc9ad124c852137e19c5417c27_230_Cu20Bi12Se48 |
[
"Bi",
"Cu",
"Zr"
] | 3 | ABC | BiCuZr | Zr1 Cu1 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
3.89731805,
0,
0
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[
0,
3.89731805,
0
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[
-1.94865902,
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4.30037617
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] | agm001847848 | [
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1.9486590456280766,
1.9486590456280766,
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[
1.9486590100683225,
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[
2.8035910882715022e-9,
2.8035910882715022e-9,
2.4112991853652943
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] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Cu", "attached"... | [
"Zr",
"Bi",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
0,
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[
0,
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] | -16.208811 | [
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0,
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0.00309971
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[
0,
0,
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[
0,
0,
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]
] | 0 | 1.378493 | pbe | true | db107436e89d1fb04ba32200ae53231b_107_Zr1Cu1Bi1 |
[
"Bi",
"Dy",
"Nd"
] | 8 | A2BC | BiDy2Nd | Nd2 Dy4 Bi2 | 3 | [
1,
1,
1
] | 3 | [
[
4.15287928,
-0.00004252,
0
],
[
-2.0769602,
6.27110905,
0
],
[
0,
0,
9.84339973
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] | agm003623594 | [
[
2.076133504605045,
5.591535468953899,
2.4608499325
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[
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0.6795310610461004,
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[
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5.299621054457793
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[
2.0761322071413693,
1.7004050159724633,
4.543778675542208
],
... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Nd", "attached"... | [
"Nd",
"Nd",
"Dy",
"Dy",
"Dy",
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] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
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0
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[
0.01879417,
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0
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[
0,
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] | -38.926195 | [
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0.139,
0.139,
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[
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[
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0.00280138,
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[
0.00036553,
-0.00280138,
0.002846... | 1.409804 | 11.870754 | pbe | true | 9948161316cc25d777b7b1bbed16f9b4_63_Nd2Dy4Bi2 |
[
"Bi",
"Dy",
"Tl"
] | 8 | A2BC | BiDy2Tl | Dy4 Tl2 Bi2 | 3 | [
1,
1,
1
] | 3 | [
[
4.41062389,
0,
0
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[
0,
4.4795509,
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[
0,
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12.30207556
]
] | agm005758520 | [
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3.3079679175,
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3.9149413750930244
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[
1.1026559725,
1.3483297836016872,
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[
3.68819... | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Ni", "attached"... | [
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ho",
"Ni",
"Ni",
"Bi",
"Bi"
] | 2023-11-16 06:57:59 | [
0.18181818181818182,
0.6363636363636364,
0.18181818181818182
] | [
[
-0.8980603,
0,
0
],
[
0,
-0.91752744,
-0.00184463
],
[
0,
-0.00184463,
-0.9155407
]
] | -56.320585 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0.00359476
],
[
0,
0.00197108,
-0.00197976
],
[
0,
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0.00057162
],
[
0,
0.00193816,
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],
[
0,
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],
[
0,
-0.00302807,
0.0019587
],
[
0,
0.00080852,
... | 0.000109 | 10.481391 | pbe | true | dc8aaddc34adc09f332c00705bbf3d46_44_Ho7Ni2Bi2 |
[
"Bi",
"In",
"Re"
] | 5 | A3BC | Bi3InRe | In1 Re1 Bi3 | 3 | [
1,
1,
1
] | 3 | [
[
5.66926947,
0,
0
],
[
0,
5.66926947,
0
],
[
0,
0,
5.66926947
]
] | agm002498973 | [
[
2.834634735,
2.834634735,
2.834634735
],
[
0,
2.834634735,
0
],
[
0,
0,
2.834634735
],
[
2.834634735,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Re", "attached"... | [
"Re",
"Bi",
"Bi",
"Bi",
"In"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
1.9128883,
0,
0
],
[
0,
1.9128883,
0
],
[
0,
0,
1.9128883
]
] | -17.784071 | [
3.655,
-0.186,
-0.167,
-0.096,
0.021
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.922854 | 5.429648 | pbe | true | 0df945f731e2dfa60a056cd05ab0a547_221_In1Re1Bi3 |
[
"Bi",
"In",
"Tl"
] | 20 | A15B4C | BiIn4Tl15 | Tl15 In4 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
5.4483381,
0,
0
],
[
0,
5.4483381,
0
],
[
0,
0,
20.52049139
]
] | agm006038033 | [
[
2.72416905,
2.72416905,
0
],
[
2.72416905,
2.72416905,
4.186054452947779
],
[
2.72416905,
2.72416905,
8.25840014339055
],
[
2.72416905,
2.72416905,
12.262091246609451
],
[
2.72416905,
2.72416905,
16.33443693705222
],
[
2.72416905,... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "In", "attached"... | [
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"In",
"In",
"In",
"In",
"Bi"
] | 2023-11-16 06:57:59 | [
0.05,
0.2,
0.75
] | [
[
4.583612,
0,
0
],
[
0,
4.583612,
0
],
[
0,
0,
1.9926223
]
] | -50.042367 | [
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,
0.00507897
],
[
0,
0,
0.00329061
],
[
0,
0,
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],
[
0,
0,
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[
0,
0,
0.00467857
],
[
0,
0,
0.00276314
],
[
0,
0,
0
],
[
0,
0,
-0.00276... | 0 | 10.776817 | pbe | true | 3dcd49cfc1e2a63c2e27fbcfe9b96aff_123_Tl15In4Bi1 |
[
"Bi",
"Ir",
"Te"
] | 5 | A3BC | BiIrTe3 | Bi1 Te3 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
5.81180289,
0,
0
],
[
0,
5.81180289,
0
],
[
0,
0,
5.81180289
]
] | agm002611071 | [
[
2.905901445,
2.905901445,
2.905901445
],
[
0,
2.905901445,
0
],
[
0,
0,
2.905901445
],
[
2.905901445,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ir",
"Te",
"Te",
"Te",
"Bi"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
2.6239948,
0,
0
],
[
0,
2.6239948,
0
],
[
0,
0,
2.6239948
]
] | -13.994876 | [
2.175,
0.177,
0.115,
0.125,
0.003
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.109834 | 8.522923 | pbe | true | 04aeaf2fa9b4d72d2d24a934044e04c7_221_Bi1Te3Ir1 |
[
"Bi",
"K",
"Pa"
] | 4 | A2BC | Bi2KPa | K1 Pa1 Bi2 | 3 | [
1,
1,
1
] | 3 | [
[
4.64747459,
0,
0
],
[
2.3237373,
4.02483106,
0
],
[
2.3237373,
1.34161035,
8.27626883
]
] | agm001975542 | [
[
4.647474594999999,
2.683220705,
4.138134415
],
[
0,
0,
0
],
[
2.323739644302044,
1.3416117076990828,
1.6404581146872321
],
[
6.971209545697956,
4.024829702300917,
6.635810715312767
]
] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "K", "attached":... | [
"K",
"Pa",
"Bi",
"Bi"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.7637533,
0,
0
],
[
0,
0.7637533,
0
],
[
0,
0,
0.70482117
]
] | -19.3386 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00219088
],
[
0,
0,
0.00219088
]
] | -0.000054 | -0.439565 | pbe | true | 7fb40954aaf36c91b069c0ac0f8c2f74_166_K1Pa1Bi2 |
[
"Bi",
"K",
"Pu"
] | 4 | A2BC | Bi2KPu | K1 Pu1 Bi2 | 3 | [
1,
1,
1
] | 3 | [
[
4.72200947,
0,
0
],
[
2.36100474,
4.08938016,
0
],
[
2.36100474,
1.36312672,
8.27841194
]
] | agm005127897 | [
[
4.722009498636006,
2.726253453631267,
4.20367683485869
],
[
7.083011852315296,
4.08937879687328,
8.245379172324654
],
[
2.361004715737003,
1.3631267063687327,
6.656796376110771
],
[
2.3610047373069545,
1.3631267200000001,
1.5901691882939444
]
] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Pu", "attached": ... | [
"K",
"Pu",
"Bi",
"Bi"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.509968,
0,
0
],
[
0,
1.509968,
0
],
[
0,
0,
1.3726566
]
] | -23.774851 | [
-0.008,
5.149,
-0.082,
-0.074
] | [
[
0,
0,
-0.0012813
],
[
0,
0,
0.00195707
],
[
0,
0,
0.00297163
],
[
0,
0,
-0.0036474
]
] | 4.931555 | 17.35666 | pbe | true | 4e7b24d63a5805c814602753f7468795_160_K1Pu1Bi2 |
[
"Bi",
"La",
"Te"
] | 8 | A4B3C | BiLa4Te3 | La4 Bi1 Te3 | 3 | [
1,
1,
1
] | 3 | [
[
6.51829118,
-0.00004072,
0.00026207
],
[
-0.00004072,
6.51829118,
0.00026207
],
[
3.25938655,
3.25938655,
6.53135096
]
] | agm002358208 | [
[
6.517809018989357,
0.000441441010643,
0.00026207
],
[
3.259607391010643,
3.258643068989357,
0.00026207
],
[
3.2592355299999998,
6.5184014800000005,
3.26593755
],
[
6.5184014800000005,
3.2592355299999998,
3.26593755
],
[
3.259480019471865,
6.5... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Te", "attached"... | [
"Te",
"Te",
"Te",
"Bi",
"La",
"La",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.125,
0.5,
0.375
] | [
[
1.2452861,
-0.00028677,
-0.01030968
],
[
-0.00028677,
1.2452861,
-0.01030968
],
[
-0.01030955,
-0.01030955,
1.3162398
]
] | -44.826533 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.002057,
-0.002057,
0
],
[
-0.002057,
0.002057,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00137662,
0.00137662,
0.00257544
],
[
-0.00137662,
-0.00137662,
-0.00257544
],
[
0,
0,
0
],
[
0,
0,
0
]
... | 0.000009 | 3.735369 | pbe | true | 533840b2a920319cb714f36dfd0f14cc_139_La4Bi1Te3 |
[
"Bi",
"Li",
"Ni"
] | 5 | A2B2C | BiLi2Ni2 | Li2 Ni2 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
3.69192662,
0,
0
],
[
0,
3.69192662,
0
],
[
1.84596331,
1.84596331,
5.96159523
]
] | agm002928670 | [
[
1.84596331,
1.84596331,
1.182461786751004
],
[
3.69192662,
3.69192662,
4.7791334432489965
],
[
0,
0,
0
],
[
3.69192662,
1.84596331,
2.980797615
],
[
1.84596331,
3.69192662,
2.980797615
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ni", "attached"... | [
"Ni",
"Ni",
"Bi",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
-4.194895,
0,
0
],
[
0,
-4.194895,
0
],
[
0,
0,
-2.7181137
]
] | -18.24957 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0.00282639
],
[
0,
0,
-0.00282639
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.62622 | pbe | true | a4c8c53da30311a8366c317b1759f460_139_Li2Ni2Bi1 |
[
"Bi",
"Li",
"Ru"
] | 5 | A3BC | BiLi3Ru | Li3 Bi1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
5.11276112,
0,
0
],
[
0,
5.11276112,
0
],
[
0,
0,
5.11276112
]
] | agm002510632 | [
[
2.55638056,
2.55638056,
2.55638056
],
[
0,
0,
0
],
[
0,
2.55638056,
0
],
[
0,
0,
2.55638056
],
[
2.55638056,
0,
0
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ru", "attached"... | [
"Ru",
"Bi",
"Li",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.75382566,
0,
0
],
[
0,
0.75382566,
0
],
[
0,
0,
0.75382566
]
] | -14.737771 | [
2.564,
0.119,
0.001,
0.003,
0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.169389 | 7.144495 | pbe | true | 054063438706816b012609cf8328f3ab_221_Li3Bi1Ru1 |
[
"Bi",
"Lu",
"Pr"
] | 6 | ABC | BiLuPr | Pr2 Lu2 Bi2 | 3 | [
1,
1,
1
] | 3 | [
[
4.64905359,
0.00021876,
0.0000815
],
[
0.00021876,
4.64905359,
0.0000815
],
[
-2.32449244,
-2.32449244,
8.62755872
]
] | agm002351292 | [
[
-0.0000025624117827795837,
-0.0000025624117827795837,
5.597842466606422
],
[
2.3247824724117825,
2.3247824724117825,
3.029879253393578
],
[
2.324526795,
0.00010938,
0.00004075
],
[
0.00010938,
2.324526795,
0.00004075
],
[
-0.00007166584760766934,... | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Lu", "attached"... | [
"Pr",
"Pr",
"Lu",
"Lu",
"Bi",
"Bi"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.7771016,
-0.05896693,
0.00232031
],
[
-0.05896693,
0.7771016,
0.00232031
],
[
0.00232069,
0.00232069,
0.9440418
]
] | -30.014489 | [
0.014,
0.014,
0.126,
0.138,
-0.001,
-0.001
] | [
[
0.00033732,
0.00033732,
-0.00400991
],
[
-0.00033732,
-0.00033732,
0.00400991
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.0001838,
0.0001838,
0.00633054
],
[
-0.0001838,
-0.0001838,
-0.00633054
]
] | 0.423114 | 7.217205 | pbe | true | da7cc105b259ee40a8278350f99386d7_139_Pr2Lu2Bi2 |
[
"Bi",
"Mn",
"Pt"
] | 5 | A3BC | BiMn3Pt | Mn3 Bi1 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
5.0470166,
0,
0
],
[
0,
5.0470166,
0
],
[
0,
0,
5.0470166
]
] | agm002526493 | [
[
0,
2.5235083,
0
],
[
0,
0,
2.5235083
],
[
2.5235083,
0,
0
],
[
0,
0,
0
],
[
2.5235083,
2.5235083,
2.5235083
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pt", "attached"... | [
"Mn",
"Mn",
"Mn",
"Bi",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
1.4963021,
0,
0
],
[
0,
1.4963021,
0
],
[
0,
0,
1.4963021
]
] | -30.162056 | [
3.926,
4.105,
3.838,
-0.07,
0.36
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 12.806494 | 6.154622 | pbe | true | c46d3a2e2cba65b6051d374e511bea6b_221_Mn3Bi1Pt1 |
[
"Bi",
"Nb",
"Sc"
] | 5 | A3BC | BiNbSc3 | Sc3 Nb1 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
5.12768245,
0,
0
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[
0,
5.12768245,
0
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[
0,
0,
5.12768245
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] | agm002589652 | [
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[
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[
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[
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] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Sc",
"Sc",
"Nb",
"Bi"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
3.8708143,
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0
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[
0,
3.8708143,
0
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[
0,
0,
3.8708143
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] | -30.892939 | [
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[
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 4.691893 | pbe | true | b414794b83eb8dd96fafc4e8ee6c7f67_221_Sc3Nb1Bi1 |
[
"Bi",
"Nd",
"Np"
] | 4 | A2BC | Bi2NdNp | Nd1 Np1 Bi2 | 3 | [
1,
1,
1
] | 3 | [
[
5.54703717,
0,
0
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[
2.77351859,
4.80387511,
0
],
[
2.77351859,
1.6012917,
4.52913689
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] | agm001112987 | [
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5.547037175000001,
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[
2.7735185875000004,
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1.1322842225
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[
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] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Np", "attached"... | [
"Np",
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"Bi",
"Bi"
] | 2023-11-16 06:57:59 | [
0.5,
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0.25
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[
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0
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[
0,
1.5227803,
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[
0,
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1.5227803
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] | -26.444039 | [
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
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] | 4.710722 | 14.961034 | pbe | true | fff483aaeb561759d0786de41d688bb5_225_Nd1Np1Bi2 |
[
"Bi",
"Nd",
"Pb"
] | 16 | A5B2C | BiNd5Pb2 | Nd10 Bi2 Pb4 | 3 | [
1,
1,
1
] | 3 | [
[
7.70982982,
1e-8,
-3.63944574
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[
-1.71800973,
7.51597598,
-3.63944568
],
[
-0.30470476,
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9.34051652
]
] | agm005937411 | [
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2.5089193234883114,
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2.1644663150825787
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[
4.434550392366383,
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[
1.2525632196238883,
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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": "Nd", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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0.0128964,
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[
0.02177959,
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] | -79.233176 | [
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0.228,
0.228,
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[
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[
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-0.0002603... | 5.164229 | 16.412182 | pbe | true | 8f9b36bd32b1f0c758d6cd83a91d9aec_140_Nd10Bi2Pb4 |
[
"Bi",
"Nd",
"Sn"
] | 4 | A2BC | BiNd2Sn | Nd2 Sn1 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
4.50175866,
0,
-0.02717426
],
[
1e-8,
4.64255533,
0
],
[
-2.21659736,
0,
6.032582
]
] | agm003613756 | [
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2.321277665,
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[
3.305843122736325,
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5.491602201702173
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[
1.0566015647044567,
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] | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Nd", "attached"... | [
"Nd",
"Nd",
"Sn",
"Bi"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25
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[
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[
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0
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[
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] | -20.505363 | [
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[
0.00154717,
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[
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] | -0.000001 | 1.588223 | pbe | true | e8a2eb1e58c147048341be1624c3b24a_38_Nd2Sn1Bi1 |
[
"Bi",
"Nd",
"Th"
] | 15 | A8B6C | Bi8NdTh6 | Nd1 Th6 Bi8 | 3 | [
1,
1,
1
] | 3 | [
[
8.09241362,
0.24690338,
2.79423685
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[
2.06878161,
7.82740441,
2.79423686
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[
0.31071759,
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] | agm005999703 | [
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[
5.185971569416994,
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... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Nd", "attached"... | [
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] | 2023-11-16 06:57:59 | [
0.5333333333333333,
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0.4
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[
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[
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[
... | -0.007796 | 11.476064 | pbe | true | 8fef415a90271299953de64c93e47c4f_148_Nd1Th6Bi8 |
[
"Bi",
"Ni",
"Pa"
] | 20 | A4B3C3 | Bi4Ni3Pa3 | Pa6 Ni6 Bi8 | 3 | [
1,
1,
1
] | 3 | [
[
8.36183761,
0,
0
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[
-2.7872792,
7.8836161,
0
],
[
-2.7872792,
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6.82741182
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] | agm003374998 | [
[
0.6968198062500006,
2.4636300312499997,
5.9739853425
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[
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[
0.6968198037499999,
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[
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6.40543808... | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ni", "attached"... | [
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"Bi",
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"Bi",
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] | 2023-11-16 06:57:59 | [
0.4,
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[
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[
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] | -129.588642 | [
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[
0,
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[
0,
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[
0,
0,
0
],... | 5.283791 | 25.00021 | pbe | true | 6e8811d893070c1090bc08e9aaee9e92_220_Pa6Ni6Bi8 |
[
"Bi",
"O",
"Ti"
] | 7 | A4B2C | Bi2OTi4 | Ti4 Bi2 O1 | 3 | [
1,
1,
1
] | 3 | [
[
4.24525528,
0,
0
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[
0,
4.24525528,
0
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[
2.12262764,
2.12262764,
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] | agm001074305 | [
[
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[
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[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ti", "attached": ... | [
"Bi",
"Bi",
"O",
"Ti",
"Ti",
"Ti",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.14285714285714285,
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[
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[
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] | -49.607399 | [
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0.305,
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[
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[
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[
0,
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[
0,
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0
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] | 1.819329 | 7.952528 | pbe | true | 04f65e41990f71def66e08d72ba6a4d6_139_Ti4Bi2O1 |
[
"Bi",
"Pd",
"Pm"
] | 14 | A4B2C | BiPd2Pm4 | Pm8 Bi2 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
8.20657477,
-1.22643969,
-0.16963481
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[
-1.81552961,
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0.16917024
],
[
-3.07056387,
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6.88942729
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] | agm003460018 | [
[
6.10921746487246,
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[
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[
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[
... | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pd", "attached"... | [
"Pm",
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"Bi",
"Bi",
"Pd",
"Pd",
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] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.2857142857142857,
0.5714285714285714
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[
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[
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] | -74.349763 | [
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[
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[
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-0.00165... | 0.002877 | 17.141268 | pbe | true | 391ec9df041b242fcc6ae51eccb07b10_70_Pm8Bi2Pd4 |
[
"Bi",
"Pd",
"Sn"
] | 11 | A8B2C | Bi2Pd8Sn | Sn1 Bi2 Pd8 | 3 | [
1,
1,
1
] | 3 | [
[
3.87236707,
-0.00105926,
-1.18038847
],
[
-1.20717369,
6.98383591,
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],
[
0.19421467,
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7.60094085
]
] | agm005904242 | [
[
1.936183535,
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[
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4.456839422991402,
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[
1.5304236260471835,
6.27312344679589,
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[
0.7210690921... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pd", "attached"... | [
"Sn",
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"Pd",
"Pd",
"Pd",
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] | 2023-11-16 06:57:59 | [
0.18181818181818182,
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0.09090909090909091
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[
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[
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] | -56.842255 | [
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[
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[
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[
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[
... | 0 | 4.676045 | pbe | true | 3fdfa83bcf06e46006199feb86cbec26_71_Sn1Bi2Pd8 |
[
"Bi",
"Pm",
"Tl"
] | 4 | A2BC | BiPmTl2 | Pm1 Tl2 Bi1 | 3 | [
1,
1,
1
] | 3 | [
[
5.55951549,
0,
0
],
[
2.77975774,
4.81468164,
0
],
[
2.77975774,
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]
] | agm001112368 | [
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0
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] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pm", "attached"... | [
"Tl",
"Tl",
"Bi",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.024329,
0,
0
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[
0,
2.024329,
0
],
[
0,
0,
2.024329
]
] | -13.97809 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000008 | 3.647663 | pbe | true | 8c148c10f10a493a9cf999327e1a72d0_225_Pm1Tl2Bi1 |
[
"Bi",
"Pt",
"Tb"
] | 16 | A5B2C | BiPt2Tb5 | Tb10 Bi2 Pt4 | 3 | [
1,
1,
1
] | 3 | [
[
8.85622041,
-0.05451611,
0
],
[
1.90870499,
8.64826325,
0
],
[
-5.3824627,
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5.56790668
]
] | agm003220118 | [
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[
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0
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[
3.2017365859878875,
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1.0450929101291924
],
[
5.110430811062487,
7.641970329416662,
1.0450929101291924
... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Pt", "attached"... | [
"Tb",
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"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Bi",
"Bi",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.125,
0.25,
0.625
] | [
[
1.0393684,
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0
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[
0.05130103,
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0
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[
0,
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] | -92.934025 | [
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[
0.00404559,
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[
0.00124069,
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... | 0.000036 | 15.307698 | pbe | true | 1c48e46a7c8fb89ec850cde6592b6f49_140_Tb10Bi2Pt4 |
[
"Bi",
"Rb",
"V"
] | 6 | ABC | BiRbV | Rb2 V2 Bi2 | 3 | [
1,
1,
1
] | 3 | [
[
3.44245516,
-0.70971739,
0.25809179
],
[
-0.84885421,
4.62002178,
0.19480752
],
[
-0.09511653,
-1.32677146,
13.53126887
]
] | agm001045377 | [
[
0.24955723337579316,
0.6292725440559047,
6.43315965564057
],
[
2.248927186624207,
1.9542603859440952,
7.551008524359431
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[
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3.0962926950108107,
5.275851496338385
],
[
1.6460517887859338,
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8.708316683661614
],
... | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Rb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rb"]}, {"mass": null, "name": "V", "attached":... | [
"V",
"V",
"Bi",
"Bi",
"Rb",
"Rb"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
0.59025884,
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[
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0.04500767
],
[
-0.03257308,
0.04500744,
0.5586596
]
] | -27.036428 | [
0,
0,
0,
0,
0,
0
] | [
[
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[
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[
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[
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0.00054523,
0.00131963
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[
0.00219201,
-0.000545... | 0.000158 | 3.943373 | pbe | true | 176a28263d189ccb688412c6a9ea3fc7_2_Rb2V2Bi2 |
[
"Bi",
"Rb",
"Th"
] | 4 | A2BC | Bi2RbTh | Rb1 Th1 Bi2 | 3 | [
1,
1,
1
] | 3 | [
[
4.71908851,
0,
0
],
[
2.35954426,
4.08685053,
0
],
[
2.35954426,
1.36228351,
8.87477931
]
] | agm001955639 | [
[
4.719088514999999,
2.7245670200000003,
4.437389655
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[
2.359546640473753,
1.362284885906345,
1.7768742342956494
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[
7.078630389526246,
4.086849154093655,
7.09790507570435
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[
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0
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] | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Rb", "attached"... | [
"Rb",
"Bi",
"Bi",
"Th"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.29402658,
0,
0
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[
0,
0.29402658,
0
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[
0,
0,
0.12842143
]
] | -17.629238 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
0,
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[
0,
0,
0.006479
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[
0,
0,
0
]
] | -0.000011 | 5.110662 | pbe | true | b74b233f240e11fd8578dd7cd92beaf4_166_Rb1Th1Bi2 |
[
"Bi",
"Ru",
"Te"
] | 5 | A3BC | BiRuTe3 | Bi1 Te3 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
5.84071919,
0,
0
],
[
0,
5.84071919,
0
],
[
0,
0,
5.84071919
]
] | agm002580611 | [
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[
0,
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[
0,
0,
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[
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[
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] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Te", "attached"... | [
"Ru",
"Te",
"Te",
"Te",
"Bi"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
2.0153062,
0,
0
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[
0,
2.0153062,
0
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[
0,
0,
2.0153062
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] | -15.471658 | [
2.823,
0.134,
0.115,
0.085,
0.007
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.685678 | 13.217557 | pbe | true | 9fa8ff426c2074f3f5c64042711460c8_221_Bi1Te3Ru1 |
[
"Bi",
"S",
"Th"
] | 4 | A2BC | BiS2Th | Th1 Bi1 S2 | 3 | [
1,
1,
1
] | 3 | [
[
3.8948184,
0,
0
],
[
1.9474092,
3.37301168,
0
],
[
1.9474092,
1.12433722,
8.95218196
]
] | agm001986929 | [
[
1.947411127935108,
1.1243383351469638,
6.195210620112037
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[
5.842225672064893,
3.373010564853036,
2.756971339887964
],
[
3.8948184,
2.2486744499999998,
4.47609098
],
[
0,
0,
0
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Bi", "attached": ... | [
"S",
"S",
"Bi",
"Th"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
-0.12188299,
0,
0
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[
0,
-0.12188299,
0
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[
0,
0,
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]
] | -20.919018 | [
0,
0,
0,
0.002
] | [
[
0,
0,
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[
0,
0,
0.00135813
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.003014 | 3.403568 | pbe | true | 39e42ebac53a1e80fb1c3515ed4f43b0_166_Th1Bi1S2 |
[
"Bi",
"Sb",
"Tb"
] | 18 | A6B2C | Bi2SbTb6 | Tb12 Bi4 Sb2 | 3 | [
1,
1,
1
] | 3 | [
[
6.44440863,
0,
0.19254696
],
[
0,
8.39759634,
0
],
[
-0.54709866,
0,
10.35152524
]
] | agm003495430 | [
[
5.480846677966225,
8.123189511989198,
2.4580699269075352
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[
5.291538976269354,
5.563993391570678,
5.88078915478662
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[
5.165899214728598,
5.82827145875599,
9.982776783141787
],
[
3.6800657402714028,
1.6294732887559897,
5.833331516858213
],
[
3... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Sb", "attached"... | [
"Tb",
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"Tb",
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"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Tb",
"Bi",
"Bi",
"Bi",
"Bi",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.1111111111111111,
0.6666666666666666
] | [
[
1.4855511,
0,
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],
[
0,
1.4708282,
0
],
[
-0.01617838,
0,
1.3266374
]
] | -89.294203 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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] | [
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0.00338752,
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[
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0.00078175,
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[
0.00046654,
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0.00056559
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[
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],
[
0.00229743,
0.00078175,
0.00084771
],
[
-0.00338752,
0.001003... | 0.001688 | 21.268314 | pbe | true | 46b3b1e4eb43bc1cac9dd95e1fba034e_14_Tb12Bi4Sb2 |
[
"Bi",
"Sb",
"Tm"
] | 14 | A5BC | BiSbTm5 | Tm10 Bi2 Sb2 | 3 | [
1,
1,
1
] | 3 | [
[
7.66264409,
-3.19875098,
-1.19368535
],
[
-0.60248362,
8.28161432,
-1.19368535
],
[
0.7078145,
0.50958111,
6.5377614
]
] | agm003760937 | [
[
7.185626278629279,
2.29690331365568,
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],
[
1.6935728427052847,
3.026567340091996,
1.3803824249189036
],
[
4.811835334695468,
6.340500623162608,
2.537549370974616
],
[
6.070209175647729,
-0.6136529903180132,
0.440755
],
[
4.0065... | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tm",
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"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Tm",
"Bi",
"Bi",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.14285714285714285,
0.7142857142857143
] | [
[
0.8548473,
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[
-0.01714624,
0.8663195,
-0.03935521
],
[
-0.05466491,
-0.03935523,
0.82733464
]
] | -65.622295 | [
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0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
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[
0.00013062,
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[
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0
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[
0.00044671,
0.00073815,
-0.00181358
],
[
-0.00044671,
-0.00073815,
... | 0.000478 | 15.367192 | pbe | true | b87a13865d05111da53e025ca02ffdce_15_Tm10Bi2Sb2 |
[
"Bi",
"Th",
"Zr"
] | 3 | ABC | BiThZr | Bi1 Th1 Zr1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.603754,
3.603754
],
[
3.603754,
0,
3.603754
],
[
3.603754,
3.603754,
0
]
] | oqmd-4364666 | [
[
1.8018800000000033,
1.8018799999999997,
1.8018799999999997
],
[
5.405630000000003,
5.4056299999999995,
5.4056299999999995
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Zr", "attached"... | [
"Bi",
"Th",
"Zr"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
6.77838,
0,
0
],
[
0,
6.77838,
0
],
[
0,
0,
6.77838
]
] | -18.8686 | [
-0.028,
0.55,
0.715
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.11372 | null | pbe | true | 89591381a4a3e5fc4021dac57cf84f34_216_Th1Zr1Bi1 |
[
"Br",
"Ce",
"Cs"
] | 9 | A6B2C | Br6CeCs2 | Cs2 Ce1 Br6 | 3 | [
1,
1,
1
] | 3 | [
[
8.85068769,
0,
0
],
[
-4.4253439,
7.66492098,
0
],
[
0,
0,
18.1872895
]
] | agm2000131303 | [
[
-8.092010486805756e-8,
5.109947345549736,
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],
[
4.425343782413229,
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[
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9.093644568127104
],
[
6.535907861813024,
0,
10.687289623876948
],
[
1.157389943962408,
2... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Cs", "attached"... | [
"Cs",
"Cs",
"Ce",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.1111111111111111,
0.2222222222222222
] | [
[
0.19925243,
0,
0
],
[
0,
0.19925246,
0
],
[
0,
0,
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]
] | -33.088907 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
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[
0,
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[
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[
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[
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],
[
-0.0005711,
0,
0.00222864
],
[
0.00028555,
... | 0.00015 | -0.005779 | pbe | true | 57f30d0558abaa0e1256c90c90d5a09a_162_Cs2Ce1Br6 |
[
"Br",
"Cs",
"Li"
] | 32 | A4B3C | Br4Cs3Li | Cs12 Li4 Br16 | 3 | [
1,
1,
1
] | 3 | [
[
10.17526849,
0,
0
],
[
0,
10.62796942,
0
],
[
0,
0,
12.26213144
]
] | agm006008001 | [
[
3.831373008128552,
6.163062327017501,
9.19659858
],
[
8.919007253128553,
9.778891802982498,
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[
6.3438954818714475,
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],
[
1.2562612368714479,
0.8490776170175011,
3.06553286
],
[
4.6735062103492995,
8.4... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Cs", "attached"... | [
"Cs",
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"Br",
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"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Li",
"Li",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.5,
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[
-0.002... | 0.000068 | 0 | pbe | true | 1f8fe8fd30b5ea6e2026a4ea3d4e2271_62_Cs12Li4Br16 |
[
"Br",
"Cs",
"Ni"
] | 9 | A6B2C | Br6Cs2Ni | Cs2 Ni1 Br6 | 3 | [
1,
1,
1
] | 3 | [
[
6.97039838,
-0.00187327,
-0.00143506
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[
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[
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]
] | agm002349042 | [
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[... | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Cs", "attached"... | [
"Cs",
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] | 2023-11-16 06:57:59 | [
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[
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-0.0004... | -0.000003 | 0.913553 | pbe | true | 7eb2e731b686ca9136d41ec8b803ccdf_164_Cs2Ni1Br6 |
[
"Br",
"Cs",
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] | 8 | A4B3C | Br4CsRb3 | Cs1 Rb3 Br4 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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] | agm006009994 | [
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[
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"Cs",
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"Br",
"Br",
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] | 2023-11-16 06:57:59 | [
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[
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-0.0000637... | -0.00011 | 0 | pbe | true | 7ac023e3070aa7dc11ad1600402b6dc7_65_Cs1Rb3Br4 |
[
"Br",
"Cu",
"Pm"
] | 14 | A5BC | Br5CuPm | Pm2 Cu2 Br10 | 3 | [
1,
1,
1
] | 3 | [
[
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-0.22878887
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[
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[
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[
2.46... | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Pm", "attached"... | [
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"Br",
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] | 2023-11-16 06:57:59 | [
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[
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-0.00424975,
-0.0062167... | 0.000003 | 4.382746 | pbe | true | 38ff21748c8af84e9c7921fe6602b31b_15_Pm2Cu2Br10 |
[
"Br",
"Dy",
"I"
] | 4 | A2BC | Br2DyI | Dy1 I1 Br2 | 3 | [
1,
1,
1
] | 3 | [
[
3.83358824,
-0.0012258,
0.00086621
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[
1.91807682,
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0.27245043
],
[
1.92041815,
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6.66101875
]
] | agm003614891 | [
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] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "I", "attached":... | [
"Dy",
"I",
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"Br"
] | 2023-11-16 06:57:59 | [
0.5,
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0.25
] | [
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[
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] | -16.152788 | [
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[
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[
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] | 0 | 0 | pbe | true | 1833e3e7b737ba28533c5992701a7e31_44_Dy1I1Br2 |
[
"Br",
"Fe",
"Ir"
] | 4 | A2BC | BrFeIr2 | Fe1 Ir2 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.61048883,
0
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[
0,
0,
2.93401501
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] | agm004258508 | [
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[
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] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ir", "attached"... | [
"Br",
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] | 2023-11-16 06:57:59 | [
0.25,
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0.5
] | [
[
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[
0,
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[
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] | -23.949895 | [
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 4.539322 | 4.946713 | pbe | true | a7641302bd600e97b37adbe8480a06ed_123_Fe1Ir2Br1 |
[
"Br",
"Fe",
"Ta"
] | 3 | ABC | BrFeTa | Ta1 Fe1 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
4.24368278,
0,
0
],
[
-2.12184139,
3.67513709,
0
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[
0,
0,
2.98693396
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] | agm004102308 | [
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[
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Br", "attached"... | [
"Br",
"Fe",
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] | 2023-11-16 06:57:59 | [
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[
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0,
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] | -19.865838 | [
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[
0,
0,
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[
0,
0,
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]
] | 0.640254 | 2.593628 | pbe | true | e0c8840b4cb65b4cf44845b989bfdf9b_187_Ta1Fe1Br1 |
[
"Br",
"Ga",
"Hg"
] | 5 | A3BC | BrGaHg3 | Ga1 Hg3 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
6.2562163,
0,
0
],
[
0,
6.2562163,
0
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[
0,
0,
6.2562163
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] | agm002480635 | [
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[
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Ga", "attached"... | [
"Ga",
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"Hg",
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] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
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[
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2.4884996,
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[
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] | -3.71775 | [
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 0 | 1.583278 | pbe | true | f69ffe86cc899fb764a7dda9d8ee0490_221_Ga1Hg3Br1 |
[
"Br",
"Ga",
"Sr"
] | 80 | A12B5C3 | Br12Ga5Sr3 | Sr12 Ga20 Br48 | 3 | [
1,
1,
1
] | 3 | [
[
15.53892085,
0,
0
],
[
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14.65023507,
0
],
[
-5.17964028,
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12.68747574
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] | agm001251888 | [
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[
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[
11.65419063875,
-1.249999... | [{"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Ga", "attached"... | [
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"Ga",
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"Ga",
"Ga",
"Ga",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br"... | 2023-11-16 06:57:59 | [
0.6,
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0.15
] | [
[
1.0273672,
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[
0,
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[
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] | -253.476062 | [
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0... | [
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[
0,
0,
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[
0,
0,
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[
0,
0,
0
],... | 0.000015 | 49.920586 | pbe | true | 60c2241d3a616063af252932f75c9682_230_Sr12Ga20Br48 |
[
"Br",
"Hg",
"Rb"
] | 5 | A2B2C | Br2HgRb2 | Rb2 Hg1 Br2 | 3 | [
1,
1,
1
] | 3 | [
[
6.630353,
0,
0
],
[
0,
6.630353,
0
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[
3.3151765,
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]
] | agm002912814 | [
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[
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],
[
6.6303529668482355,
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]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rb", "attached"... | [
"Br",
"Br",
"Hg",
"Rb",
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] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
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0,
0
],
[
0,
1.3187875,
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],
[
0,
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]
] | -11.870965 | [
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] | [
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[
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[
0,
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[
0,
0,
0.0003551
],
[
0,
0,
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]
] | 0 | 0 | pbe | true | 99146b2a5e79104f7ab9680506992aa7_139_Rb2Hg1Br2 |
[
"Br",
"I",
"Tl"
] | 10 | A2B2C | Br2I2Tl | Tl2 I4 Br4 | 3 | [
1,
1,
1
] | 3 | [
[
9.36530652,
0,
0
],
[
0,
9.36530652,
0
],
[
0,
0,
4.43240286
]
] | agm002963375 | [
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2.1283336178361396,
6.8109868778361395,
2.21620143
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[
6.8109868778361395,
7.236972902163862,
2.21620143
],
[
7.236972902163862,
2.5543196421638608,
2.21620143
],
[
2.5543196421638608,
2.1283336178361396,
2.21620143
],
[
0,
0,
0
],
[... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "I", "attached":... | [
"I",
"I",
"I",
"I",
"Tl",
"Tl",
"Br",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
0.23120528,
0,
0
],
[
0,
0.23120528,
0
],
[
0,
0,
1.3363131
]
] | -17.767276 | [
0,
0,
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0.001,
0,
0,
0,
0,
0,
0
] | [
[
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[
0.00937228,
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0
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[
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[
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[
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[
0,
0,
0
],
[
-0.00707748,
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0
],
[
-0.00707748... | -0.000128 | 14.888573 | pbe | true | b51cbe174b359a0aaafef7c4128b9d47_127_Tl2I4Br4 |
[
"Br",
"Mn",
"Rh"
] | 4 | A2BC | Br2MnRh | Mn1 Rh1 Br2 | 3 | [
1,
1,
1
] | 3 | [
[
3.56755082,
0.13067439,
0
],
[
-1.98785771,
2.96528521,
0
],
[
0,
0,
7.91748318
]
] | agm004305473 | [
[
0,
0,
0.05212079177394
],
[
0,
0,
3.9066207982260597
],
[
0.789846555,
1.5479797999999998,
1.979370795
],
[
0.789846555,
1.5479797999999998,
5.938112385
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rh", "attached"... | [
"Br",
"Br",
"Mn",
"Rh"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
3.7467892,
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0
],
[
-0.15571506,
3.5210638,
0
],
[
0,
0,
3.6021311
]
] | -18.405251 | [
0.016,
0.016,
4.049,
-0.909
] | [
[
0,
0,
0.00367791
],
[
0,
0,
-0.00367791
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[
0,
0,
0
],
[
0,
0,
0
]
] | 3.442097 | 2.97377 | pbe | true | 4115d875ffd8aaa8f92ede86146fd00f_65_Mn1Rh1Br2 |
[
"Br",
"Mn",
"Si"
] | 4 | A2BC | Br2MnSi | Mn1 Si1 Br2 | 3 | [
1,
1,
1
] | 3 | [
[
8.37292412,
0.09651472,
-0.00130638
],
[
6.7714752,
4.92567734,
0.00130634
],
[
-7.55752617,
-2.55533758,
2.54346631
]
] | agm004045631 | [
[
5.860767369460027,
1.8944425564514895,
2.5434662745590604
],
[
9.298305440539973,
3.0835079535485104,
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[
4.193798805,
0.026136584999999934,
1.271079955
],
[
3.393074345,
2.4407178949999997,
1.2723863149999999
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Si", "attached"... | [
"Br",
"Br",
"Mn",
"Si"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.61552984,
0.00586722,
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[
0.00586722,
0.59978306,
0.06259939
],
[
-0.02075875,
0.06259939,
0.6003251
]
] | -18.112973 | [
0.04,
0.04,
3.408,
-0.095
] | [
[
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0
],
[
0.00332977,
0.00110422,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.51422 | 1.263608 | pbe | true | 353c6b77b9a5702c2fd54b7d382ccc7f_71_Mn1Si1Br2 |
[
"Br",
"Rb",
"Tl"
] | 15 | A8B4C3 | Br8Rb4Tl3 | Rb4 Tl3 Br8 | 3 | [
1,
1,
1
] | 3 | [
[
8.45376735,
-0.25237255,
-4.68917904
],
[
-5.52525363,
7.89278833,
-0.26630406
],
[
-0.26660539,
0.08875266,
9.63413232
]
] | agm005698670 | [
[
4.226883675,
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[
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3.946394165,
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[
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0
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[
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],
[
1.4642568599999999,
3.8202078900000003,
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],
[
4.09358098,
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... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Rb", "attached"... | [
"Rb",
"Rb",
"Rb",
"Rb",
"Tl",
"Tl",
"Tl",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.5333333333333333,
0.26666666666666666,
0.2
] | [
[
0.91668576,
0.01368278,
0.02904719
],
[
0.01368276,
0.9806968,
0.01608801
],
[
0.02904718,
0.016088,
0.94832003
]
] | -42.847956 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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] | [
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[
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[
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[
0,
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[
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[
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[
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[
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0.00279854,
0.00298873
],
[
0.00021056,
-0.00031248,
0.00039642
],
... | -0.000268 | 10.230999 | pbe | true | 13ee2608885e1a189239bb6e959eb83b_12_Rb4Tl3Br8 |
[
"Br",
"Se",
"Tl"
] | 10 | A3BC | BrSeTl3 | Tl6 Se2 Br2 | 3 | [
1,
1,
1
] | 3 | [
[
10.82832586,
1.6e-7,
0
],
[
3.3e-7,
6.97440207,
0
],
[
0,
0,
18.81042855
]
] | agm2000100800 | [
[
6.962369437864374,
6.450244890970698,
11.310428718791036
],
[
3.8659567592504493,
2.9630440891940015,
7.500000207417536
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[
3.8659568675336944,
2.9630438102179206,
11.310428718791036
],
[
6.962369437864387,
6.450245169946781,
7.500000207417536
],
[
... | [{"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": "Br", "attached"... | [
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Tl",
"Se",
"Se",
"Br",
"Br"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.55909485,
4e-8,
0
],
[
4e-8,
0.65099126,
0
],
[
0,
0,
-0.09659814
]
] | -28.767748 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00231932,
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[
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[
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[
0.00231932,
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-0.00298823
],
[
0.00103007,
-0.00212104,
0
],
[
-0.00103007,
-0.00212104,
... | 0 | 0 | pbe | true | 03b4b606d7cb83f513ea788fce53346e_26_Tl6Se2Br2 |
[
"C",
"Ca",
"Mg"
] | 4 | A2BC | CCaMg2 | Ca1 Mg2 C1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.40877436,
3.40877436
],
[
3.40877436,
0,
3.40877436
],
[
3.40877436,
3.40877436,
0
]
] | agm002650500 | [
[
0,
0,
0
],
[
3.40877436,
3.40877436,
3.40877436
],
[
1.70438718,
1.70438718,
1.70438718
],
[
5.11316154,
5.11316154,
5.11316154
]
] | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "C", "attached":... | [
"C",
"Ca",
"Mg",
"Mg"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
2.9411128,
0,
0
],
[
0,
2.9411128,
0
],
[
0,
0,
2.9411128
]
] | -9.739758 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.542235 | pbe | true | a8ff1703913e26f1ae7f6cbd40dc1f6c_225_Ca1Mg2C1 |
[
"C",
"Cd",
"Li"
] | 5 | A3BC | CCd3Li | Li1 Cd3 C1 | 3 | [
1,
1,
1
] | 3 | [
[
4.67806297,
0,
0
],
[
0,
4.67806297,
0
],
[
0,
0,
4.67806297
]
] | agm002516420 | [
[
0,
0,
0
],
[
2.339031485,
2.339031485,
2.339031485
],
[
0,
2.339031485,
0
],
[
0,
0,
2.339031485
],
[
2.339031485,
0,
0
]
] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "C", "attached":... | [
"C",
"Li",
"Cd",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
1.5373647,
0,
0
],
[
0,
1.5373647,
0
],
[
0,
0,
1.5373647
]
] | -10.375448 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.033606 | pbe | true | 75e62744d4a6165663176f5d54949da7_221_Li1Cd3C1 |
[
"C",
"Ce",
"Si"
] | 20 | A3BC | CCe3Si | Ce12 Si4 C4 | 3 | [
1,
1,
1
] | 3 | [
[
3.7455553,
0,
0
],
[
0,
8.12644131,
0
],
[
0,
0,
13.94882232
]
] | agm005842180 | [
[
2.809166475,
1.5715047104203748,
3.9778768862923726
],
[
0.936388825,
5.206405023294205,
0.0211690117292784
],
[
0.936388825,
0.22465376346227492,
1.5189388730673838
],
[
0.936388825,
4.287874418462275,
5.455472286932616
],
[
0.936388825,
1.1... | [{"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "C", "attached":... | [
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Ce",
"Si",
"Si",
"Si",
"Si",
"C",
"C",
"C",
"C"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.3705454,
0,
0
],
[
0,
0.27553087,
0
],
[
0,
0,
0.5500409
]
] | -137.38374 | [
0.405,
0.256,
0.287,
0.287,
0.256,
0.287,
0.405,
0.287,
0.256,
0.405,
0.256,
0.405,
-0.009,
-0.009,
-0.009,
-0.009,
-0.017,
-0.017,
-0.017,
-0.017
] | [
[
0,
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],
[
0,
0.00106365,
0.00388695
],
[
0,
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],
[
0,
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[
0,
0.00106365,
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],
[
0,
0.0011928,
0.00380733
],
[
0,
0.00127706,
-0... | 4.563963 | 36.933384 | pbe | true | c3e24e25838a10aca14e0e9244415301_62_Ce12Si4C4 |
[
"C",
"Co",
"Tm"
] | 7 | A4B2C | CCo4Tm2 | Tm2 Co4 C1 | 3 | [
1,
1,
1
] | 3 | [
[
3.80586641,
0,
0
],
[
0,
3.80586641,
0
],
[
1.9029332,
1.9029332,
7.13705329
]
] | agm001082690 | [
[
0,
0,
0
],
[
3.8058645036994716,
3.8058645036994716,
4.806553452833863
],
[
1.9029351063005284,
1.9029351063005284,
2.330499837166137
],
[
3.805868311656297,
3.805868311656297,
1.822671945744398
],
[
1.902931298343703,
1.902931298343703,
... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "C", "attached":... | [
"C",
"Tm",
"Tm",
"Co",
"Co",
"Co",
"Co"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.5714285714285714,
0.2857142857142857
] | [
[
-0.19957697,
0,
0
],
[
0,
-0.19957697,
0
],
[
0,
0,
-0.30878332
]
] | -47.282589 | [
-0.026,
0.005,
0.005,
0.307,
0.307,
0.493,
0.493
] | [
[
0,
0,
0
],
[
0,
0,
0.00411628
],
[
0,
0,
-0.00411628
],
[
0,
0,
0.00371597
],
[
0,
0,
-0.00371597
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.595309 | 7.972356 | pbe | true | 1a37565486328285db7add69c379c010_139_Tm2Co4C1 |
[
"C",
"Cr",
"Ni"
] | 6 | ABC | CCrNi | Cr2 Ni2 C2 | 3 | [
1,
1,
1
] | 3 | [
[
2.85798209,
0,
0
],
[
0,
3.90294894,
0
],
[
0,
0,
5.52529585
]
] | agm001037945 | [
[
1.428991045,
0,
3.330498879127257
],
[
0,
1.95147447,
2.194796970872743
],
[
0,
0,
2.0168894063755136
],
[
1.428991045,
1.95147447,
3.5084064436244864
],
[
1.428991045,
1.95147447,
5.331551627284543
],
[
0,
0,
0.1937442227... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "C", "attached":... | [
"Cr",
"Cr",
"C",
"C",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-0.88281137,
0,
0
],
[
0,
-0.18556906,
0
],
[
0,
0,
-0.8226443
]
] | -47.647993 | [
0.012,
0.012,
0,
0,
0.047,
0.047
] | [
[
0,
0,
-0.0001461
],
[
0,
0,
0.0001461
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[
0,
0,
0.00012284
],
[
0,
0,
-0.00012284
],
[
0,
0,
0.00108401
],
[
0,
0,
-0.00108401
]
] | 0.117976 | 6.641848 | pbe | true | 03ed01ef7d1e1b4389baf5a38a82f3ce_59_Cr2Ni2C2 |
[
"C",
"Cs",
"Cu"
] | 5 | A3BC | CCsCu3 | Cs1 Cu3 C1 | 3 | [
1,
1,
1
] | 3 | [
[
5.62597407,
0,
0
],
[
0,
5.62597407,
0
],
[
0,
0,
5.62597407
]
] | agm002436688 | [
[
0,
0,
0
],
[
2.812987035,
2.812987035,
2.812987035
],
[
0,
2.812987035,
0
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[
0,
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[
2.812987035,
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] | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Cs", "attached": ... | [
"Cs",
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"Cu",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
0.2,
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0.6
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[
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] | -7.136492 | [
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[
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] | 2.043293 | 5.670017 | pbe | true | 565258c855caa46dd3a5d35d949f1f95_221_Cs1Cu3C1 |
[
"C",
"Cs",
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] | 5 | A3BC | CCsLi3 | Cs1 Li3 C1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.51499937,
0
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[
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] | agm002507563 | [
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "Cs", "attached": ... | [
"Cs",
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] | 0 | 0 | pbe | true | 0bf595ba49fe65f6acef67e79f7fb3ed_221_Cs1Li3C1 |
[
"C",
"Dy",
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] | 4 | A2BC | CDy2I | Dy2 C1 I1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
1.87995318,
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[
1.87995318,
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] | agm005117874 | [
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] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "C", "attached": n... | [
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] | -0.000295 | 2.182974 | pbe | true | d0cc72ae44c81a3c6185fd634613253f_160_Dy2C1I1 |
[
"C",
"Dy",
"Te"
] | 11 | A7B2C2 | C2Dy7Te2 | Dy7 Te2 C2 | 3 | [
1,
1,
1
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[
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0.12498507,
0.18036249
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[
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] | agm003326393 | [
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... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "C", "attached":... | [
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] | 2023-11-16 06:57:59 | [
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[... | -0.000123 | 7.644215 | pbe | true | a93f2eac2aaf7a974ead6529436f0396_12_Dy7Te2C2 |
[
"C",
"Er",
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] | 7 | A4B2C | C2Er4Sn | Er4 Sn1 C2 | 3 | [
1,
1,
1
] | 3 | [
[
3.5731711,
0,
0
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[
1.78658555,
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0
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[
1.78658555,
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] | agm003455562 | [
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[... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "C", "attached":... | [
"Er",
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"C"
] | 2023-11-16 06:57:59 | [
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[
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] | -43.912145 | [
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] | -0.000517 | 3.538619 | pbe | true | f33d8280a01f3e14656e49b3dd48fba9_166_Er4Sn1C2 |
[
"C",
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"P"
] | 8 | A2BC | CF2P | P2 C2 F4 | 3 | [
1,
1,
1
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[
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[... | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "C", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["C"]}, {"mass": null, "name": "P", "attached": nul... | [
"P",
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[
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-0.0038... | 0 | 0 | pbe | true | c04735cef22ff01c3adbd0b2bb0859b0_1_P2C2F4 |
[
"C",
"Hg",
"Th"
] | 14 | A3B3C | CHg3Th3 | Th6 Hg6 C2 | 3 | [
1,
1,
1
] | 3 | [
[
6.14073999,
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1.97342053
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[
2.7532771,
5.48891233,
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[
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] | agm005948887 | [
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[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "C", "attached":... | [
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"Hg",
"Hg",
"Hg",
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"C",
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] | 2023-11-16 06:57:59 | [
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[
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[
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[
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0.0009... | -0.000018 | 11.325541 | pbe | true | f6362d4d69d4d7f71d72cbcbafd9413c_148_Th6Hg6C2 |
[
"C",
"Ho",
"Sn"
] | 9 | A6B2C | CHo6Sn2 | Ho6 Sn2 C1 | 3 | [
1,
1,
1
] | 3 | [
[
4.95785185,
0,
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[
0,
6.86883773,
0
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[
-2.20049599,
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] | agm003488796 | [
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[
0.0814... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "C", "attached":... | [
"Ho",
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] | 2023-11-16 06:57:59 | [
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] | -45.48522 | [
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[
0,
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[
0.0... | 0.000822 | 9.791513 | pbe | true | 1be4402fd0052c60f74de6f43133b896_71_Ho6Sn2C1 |
[
"C",
"In",
"Re"
] | 5 | A3BC | CInRe3 | In1 Re3 C1 | 3 | [
1,
1,
1
] | 3 | [
[
4.16330487,
0,
0
],
[
0,
4.16330487,
0
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[
0,
0,
4.16330487
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] | agm002432989 | [
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[
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[
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[
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] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "C", "attached":... | [
"Re",
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"Re",
"C",
"In"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
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[
0,
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[
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] | -46.856699 | [
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[
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[
0,
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[
0,
0,
0
]
] | 0 | 3.352153 | pbe | true | 8dad3bcdd14ef4ce83c7fe12b7ed1d65_221_In1Re3C1 |
[
"C",
"Mn",
"Nd"
] | 8 | A4B3C | C4MnNd3 | Nd3 Mn1 C4 | 3 | [
1,
1,
1
] | 3 | [
[
3.72233337,
0.00265815,
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[
0.00324467,
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[
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] | agm002330870 | [
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[
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5.4198482706773... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "C", "attached":... | [
"C",
"C",
"C",
"C",
"Mn",
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"Nd",
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] | 2023-11-16 06:57:59 | [
0.5,
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0.375
] | [
[
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[
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] | -61.16155 | [
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1.729,
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] | [
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[
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[
0,
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[
0,
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[
-0.00047666,
-0.0003... | 1.390014 | 4.090294 | pbe | true | 989c0ab19fa512e87b9eee6779305066_12_Nd3Mn1C4 |
[
"C",
"N",
"Pm"
] | 6 | A4BC | CNPm4 | Pm4 C1 N1 | 3 | [
1,
1,
1
] | 3 | [
[
3.65404407,
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3e-8
],
[
-1.82702421,
6.39807139,
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[
3e-8,
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] | agm005742810 | [
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[
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