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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Al",
"Ge",
"Pd"
] | 10 | A2B2C | Al2Ge2Pd | Al4 Ge4 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
6.55407832,
0,
0
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[
0,
6.55407832,
0
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[
0,
0,
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] | agm002953741 | [
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[... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached"... | [
"Ge",
"Ge",
"Ge",
"Ge",
"Al",
"Al",
"Al",
"Al",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.4,
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] | -43.936781 | [
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[
0.00483567,
0.004... | 0 | 3.825772 | pbe | true | 680af12620c508e5224ea5558ef79f56_127_Al4Ge4Pd2 |
[
"Al",
"Hf",
"Sn"
] | 3 | ABC | AlHfSn | Hf1 Al1 Sn1 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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0
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[
0,
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]
] | agm001264347 | [
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Al", "attached"... | [
"Hf",
"Sn",
"Al"
] | 2023-11-16 06:57:59 | [
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] | -17.814896 | [
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0
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[
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0,
0
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[
0.00417872,
0,
0
]
] | 0.002504 | 3.45273 | pbe | true | f7670e124a244a965f39d01b49d951dc_187_Hf1Al1Sn1 |
[
"Al",
"Hf",
"Zn"
] | 9 | A4B3C2 | Al4Hf3Zn2 | Hf3 Al4 Zn2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
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[
0,
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] | agm003339747 | [
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[
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-0.0086... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached"... | [
"Hf",
"Hf",
"Hf",
"Al",
"Al",
"Al",
"Al",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
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0,
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... | 0.000003 | 2.569418 | pbe | true | 033706438fd26124f8147522c00c2a7a_12_Hf3Al4Zn2 |
[
"Al",
"Hg",
"Li"
] | 3 | ABC | AlHgLi | Al1 Hg1 Li1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.143506,
3.143506
],
[
3.143506,
0,
3.143506
],
[
3.143506,
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0
]
] | oqmd-3623838 | [
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[
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]
] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Li", "attached"... | [
"Al",
"Hg",
"Li"
] | 2024-11-01 00:00:00 | [
0.3333333333333333,
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[
0,
0,
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] | -5.95459 | [
0,
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0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | null | null | pbe | true | 016badc0ddbbd3e73282a9470cabd34a_216_Li1Al1Hg1 |
[
"Al",
"Hg",
"Rb"
] | 4 | A2BC | AlHg2Rb | Rb1 Al1 Hg2 | 3 | [
1,
1,
1
] | 3 | [
[
3.71201404,
0,
0
],
[
0,
3.71201404,
0
],
[
0,
0,
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]
] | agm001138576 | [
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[
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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": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Rb", "attached"... | [
"Hg",
"Hg",
"Rb",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
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[
0,
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[
0,
0,
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] | -5.188929 | [
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[
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0,
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000017 | 2.724365 | pbe | true | e333172826f4bab5bf72236d68336adc_123_Rb1Al1Hg2 |
[
"Al",
"Ho",
"Nd"
] | 9 | A6B2C | Al2HoNd6 | Nd6 Ho1 Al2 | 3 | [
1,
1,
1
] | 3 | [
[
3.73915742,
0,
0.59364583
],
[
1.64494481,
6.30552097,
1.7117078
],
[
0.04703726,
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11.77634343
]
] | agm005740723 | [
[
3.400696794015342,
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],
[
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4.567995139602051,
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[
... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Al", "attached"... | [
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Nd",
"Ho",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
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0.6666666666666666
] | [
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],
[
0.00939124,
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]
] | -41.916862 | [
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0,
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0,
0,
0,
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0
] | [
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[
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[
0.00067424,
0.0032916,
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],
[
-0.00037595,
0.0035787... | 0.000001 | 9.100582 | pbe | true | 45711f9a521e4dd5eec54286f27f8f60_12_Nd6Ho1Al2 |
[
"Al",
"Ho",
"Pd"
] | 28 | A9B3C2 | Al9Ho2Pd3 | Ho4 Al18 Pd6 | 3 | [
1,
1,
1
] | 3 | [
[
7.6495412,
0.00979278,
0
],
[
-3.78034734,
6.65015417,
0
],
[
0,
0,
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]
] | agm003237659 | [
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[
2.496291772031725,
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[
0.5007638763928766,... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached"... | [
"Ho",
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"Al",
"Al",
"Al",
"Al",
"Al",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.6428571428571429,
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] | [
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[
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] | -136.029275 | [
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[
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[
0.00327387,
-0.00068... | 0.00001 | 10.404575 | pbe | true | ff9fea01a3e658be9945a1f3f354d485_63_Ho4Al18Pd6 |
[
"Al",
"I",
"Ti"
] | 8 | A6BC | AlI6Ti | Ti1 Al1 I6 | 3 | [
1,
1,
1
] | 3 | [
[
7.15176623,
-1e-8,
0
],
[
-3.57588261,
6.19361094,
0
],
[
0,
0,
18.2157921
]
] | agm2000142491 | [
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... | [{"mass": null, "name": "I", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["I"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ti", "attached": ... | [
"Ti",
"Al",
"I",
"I",
"I",
"I",
"I",
"I"
] | 2023-11-16 06:57:59 | [
0.125,
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] | [
[
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1e-8,
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[
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],
[
0,
0,
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] | -26.328876 | [
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[
0.00126143,
0.0007... | 1.001479 | 4.414682 | pbe | true | 8ed8b4de2174157754d4a4043292265e_149_Ti1Al1I6 |
[
"Al",
"Ir",
"P"
] | 4 | A2BC | AlIrP2 | Al1 P2 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
4.22795387,
0.00560842,
0
],
[
-1.12123013,
4.07657557,
0
],
[
0,
0,
3.33354023
]
] | agm004276431 | [
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0,
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0
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0
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[
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],
[
2.113976935,
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]
] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "P", "attached":... | [
"P",
"P",
"Ir",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0
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0
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0,
0,
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] | -23.112112 | [
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] | [
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000003 | 1.580097 | pbe | true | 4892f933b5a9428fab87a36af0cd8a12_65_Al1P2Ir1 |
[
"Al",
"Ir",
"Sr"
] | 6 | A3B2C | Al3IrSr2 | Sr2 Al3 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
5.04493497,
-0.15637889,
-2.64910219
],
[
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],
[
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]
] | agm005844465 | [
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[
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],
[
2.40592857,
-0.01724761499... | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Sr",
"Al",
"Al",
"Al",
"Ir"
] | 2023-11-16 06:57:59 | [
0.5,
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],
[
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]
] | -25.511958 | [
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] | -0 | 3.452682 | pbe | true | ac23aafb3c968f24f572e7cfece86fd2_12_Sr2Al3Ir1 |
[
"Al",
"K",
"W"
] | 6 | A4BC | Al4KW | K1 Al4 W1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.79367692,
3.79367692
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[
3.79367692,
0,
3.79367692
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[
3.79367692,
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0
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] | agm005449962 | [
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[
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... | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Al", "attached": nu... | [
"K",
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"Al",
"Al",
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] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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] | -26.044065 | [
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[
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[
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] | 1.034061 | 3.36909 | pbe | true | 71b8e784e5b76a53b3942a1d5a9837b4_216_K1Al4W1 |
[
"Al",
"La",
"Sm"
] | 9 | A6B2C | Al2LaSm6 | La1 Sm6 Al2 | 3 | [
1,
1,
1
] | 3 | [
[
3.76243088,
0,
0.59734114
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[
1.66052392,
6.23072566,
1.68872595
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[
0.05877367,
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] | agm005740524 | [
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5... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sm", "attached"... | [
"La",
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"Sm",
"Sm",
"Sm",
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] | 2023-11-16 06:57:59 | [
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[
... | 0.000008 | 9.999924 | pbe | true | 15402a2e59477bfd47530d670a03f9ec_12_La1Sm6Al2 |
[
"Al",
"Li",
"P"
] | 3 | ABC | AlLiP | Li1 Al1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
4.20245869,
0,
0
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[
2.10122934,
3.63943598,
0
],
[
2.10122934,
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] | agm004263331 | [
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[
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "P", "attached":... | [
"Al",
"Li",
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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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] | 0.000049 | 2.2059 | pbe | true | c7fcde571c4ed2160904aa70ab6fb471_216_Li1Al1P1 |
[
"Al",
"Li",
"Zn"
] | 80 | A12B5C3 | Al3Li5Zn12 | Li20 Al12 Zn48 | 3 | [
1,
1,
1
] | 3 | [
[
13.37642492,
0,
0
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[
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12.61141436,
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[
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] | agm001167369 | [
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... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached"... | [
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"Zn",
"Zn",
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[
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[
0,
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],... | -0 | 30.05046 | pbe | true | 94b6686b49b304f4ddd3531ba6977d3c_230_Li20Al12Zn48 |
[
"Al",
"Mg",
"Ni"
] | 4 | A2BC | AlMgNi2 | Mg1 Al1 Ni2 | 3 | [
1,
1,
1
] | 3 | [
[
8.16038389,
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[
7.68230429,
2.75212437,
-0.00652002
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[
7.68230429,
1.32916826,
2.4098844
]
] | agm004196220 | [
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5.8812481175,
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11.898538913954765,
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] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached"... | [
"Al",
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"Ni"
] | 2023-11-16 06:57:59 | [
0.25,
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0.5
] | [
[
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[
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] | -17.639636 | [
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[
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[
0.00367291,
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]
] | 0.000003 | 3.061229 | pbe | true | e36d5ff6ecd016902ae2e35df9ec0a1d_166_Mg1Al1Ni2 |
[
"Al",
"Mg",
"Pb"
] | 4 | A2BC | AlMgPb2 | Mg1 Al1 Pb2 | 3 | [
1,
1,
1
] | 3 | [
[
4.79275825,
0.28850222,
0.08226276
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[
2.64622937,
4.00639929,
0.08226276
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[
2.59004124,
1.49536101,
6.07285056
]
] | agm005124596 | [
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4.864242001850834,
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[
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[
2.6404788104096992,
1.5244811540333552,
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] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached"... | [
"Mg",
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"Pb"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0.06962032,
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[
-0.00743243,
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3.5410204
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] | -12.097141 | [
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0,
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0
] | [
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[
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0.00026477
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[
-0.00190944,
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]
] | 0 | 1.781007 | pbe | true | 9eb776d09bd82a72988cdf83b81dca3a_8_Mg1Al1Pb2 |
[
"Al",
"Mg",
"Pt"
] | 4 | A2BC | AlMgPt2 | Mg1 Al1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
4.44142921,
0.00459101,
-0.01850464
],
[
3.47056211,
2.77155428,
-0.01850464
],
[
1.00280682,
0.35186306,
5.17043398
]
] | agm003993276 | [
[
6.686098605,
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3.850068525
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[
2.228699535,
0.7820020875,
1.283356175
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5.108980608646459
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[
4.387287566837112,
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] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pt", "attached"... | [
"Al",
"Mg",
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"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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[
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[
0.12232778,
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] | -20.178047 | [
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[
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[
-0.00092107,
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]
] | 0 | 1.864381 | pbe | true | b181016b0e3b603daffbff977f8bf1d1_12_Mg1Al1Pt2 |
[
"Al",
"Mg",
"Sr"
] | 10 | A3BC | AlMg3Sr | Sr2 Mg6 Al2 | 3 | [
1,
1,
1
] | 3 | [
[
4.56654271,
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0.00014464
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[
-0.00005053,
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1.94859801
],
[
-0.00006778,
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8.12603603
]
] | agm005869866 | [
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[
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[
... | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Sr",
"Mg",
"Mg",
"Mg",
"Mg",
"Mg",
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"Al",
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] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
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[
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],
[
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] | -21.272245 | [
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] | [
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9e-8,
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[
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[
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[
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[
4e-8,
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[
... | -0 | 5.436153 | pbe | true | 4e83976f7c41284aa53f7f089990c5c0_11_Sr2Mg6Al2 |
[
"Al",
"Mg",
"Y"
] | 17 | A12B4C | Al12MgY4 | Y4 Mg1 Al12 | 3 | [
1,
1,
1
] | 3 | [
[
7.1924746,
0,
-2.54292401
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[
-3.5962373,
6.22886569,
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[
0,
0,
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] | agm006014644 | [
[
0,
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[
3.5962373,
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[
1.79811865,
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[
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[
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[
... | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
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"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.7058823529411765,
0.058823529411764705,
0.23529411764705882
] | [
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[
0,
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[
-1e-8,
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] | -78.588063 | [
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[
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[
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[... | 0.000003 | 4.93141 | pbe | true | d37edb366eb244633334fe5d0df19c1e_229_Y4Mg1Al12 |
[
"Al",
"Mn",
"Sr"
] | 8 | A2BC | Al2MnSr | Sr2 Mn2 Al4 | 3 | [
1,
1,
1
] | 3 | [
[
5.10843113,
0,
0
],
[
0,
5.10843113,
0
],
[
2.55421556,
2.55421556,
8.73467854
]
] | agm002790815 | [
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[
2.555700789016736... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Sr",
"Mn",
"Mn",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
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0.25
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[
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[
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] | -34.389621 | [
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3.291,
3.292,
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[
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] | 6.376208 | 6.397347 | pbe | true | 58ad78c00ee6c134c65877cf15f7afc4_141_Sr2Mn2Al4 |
[
"Al",
"Mo",
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] | 3 | ABC | AlMoPa | Pa1 Al1 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
3.26563324,
0,
0
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[
0,
3.26563324,
0
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[
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] | agm001841137 | [
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[
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[
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] | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Al", "attached"... | [
"Mo",
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] | 2023-11-16 06:57:59 | [
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[
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] | 0.00001 | 3.888147 | pbe | true | 073b4c29a37a8af45022f5390b697645_107_Pa1Al1Mo1 |
[
"Al",
"Mo",
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] | 5 | A2B2C | Al2MoZr2 | Al2 Mo1 Zr2 | 3 | [
1,
1,
1
] | 3 | [
[
-1.777606,
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],
[
1.777606,
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[
1.777606,
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] | oqmd-4103063 | [
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[
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... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Zr", "attached"... | [
"Al",
"Al",
"Mo",
"Zr",
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] | 2024-11-01 00:00:00 | [
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[
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[
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] | -34.5883 | [
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[
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[
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[
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[
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] | -0.000918 | null | pbe | true | 1204cd6a2a9df36d34e42a66ae48bbfc_139_Zr2Al2Mo1 |
[
"Al",
"Nd",
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] | 12 | A8B3C | AlNd3Ni8 | Nd3 Al1 Ni8 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
2.5381001,
4.39611833,
0
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[
2.5381001,
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] | agm003586140 | [
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[
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[
6.3521210138... | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Al", "attached"... | [
"Nd",
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"Ni",
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] | 2023-11-16 06:57:59 | [
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[
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[
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0.0061368... | 0 | 9.09715 | pbe | true | 1d86b41d5e1871dbd1bc018a0cf99ff1_160_Nd3Al1Ni8 |
[
"Al",
"Ni",
"Os"
] | 5 | A3BC | Al3NiOs | Al3 Ni1 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
4.3057512,
0,
0
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[
0,
4.3057512,
0
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[
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] | agm002395666 | [
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[
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] | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Os", "attached"... | [
"Ni",
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"Al",
"Al"
] | 2023-11-16 06:57:59 | [
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[
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[
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[
0,
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] | 0 | 3.170916 | pbe | true | 0513cfa28d1ef92ebee2f832617c2075_221_Al3Ni1Os1 |
[
"Al",
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"Sm"
] | 19 | A12B6C | AlNi6Sm12 | Sm12 Al1 Ni6 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
-2.855406
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[
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[
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] | agm006129835 | [
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[
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... | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sm", "attached"... | [
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] | 2023-11-16 06:57:59 | [
0.05263157894736842,
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[
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[
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[
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[
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0.00277... | -0.000006 | 15.602631 | pbe | true | 3548164ffbea534ff2ebecaf6ad971da_204_Sm12Al1Ni6 |
[
"Al",
"Ni",
"Zr"
] | 10 | A2B2C | Al2NiZr2 | Zr4 Al4 Ni2 | 3 | [
1,
1,
1
] | 3 | [
[
5.02663007,
0,
0
],
[
0,
5.02663007,
0
],
[
0,
0,
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]
] | agm005507184 | [
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[
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[
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... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Al", "attached"... | [
"Zr",
"Zr",
"Zr",
"Zr",
"Al",
"Al",
"Al",
"Al",
"Ni",
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] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
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[
0,
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[
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] | -61.057421 | [
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[
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[
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[
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[
0,
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[
0,... | -0.000001 | 8.752845 | pbe | true | 2547180fe721ab244b7e4a61e9408c0f_129_Zr4Al4Ni2 |
[
"Al",
"Ni",
"Zr"
] | 12 | ABC | AlNiZr | Zr4 Al4 Ni4 | 3 | [
1,
1,
1
] | 3 | [
[
4.19640093,
0,
-0.00000312
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[
0,
4.19271064,
0
],
[
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12.3081418
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] | agm005512872 | [
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[
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[
1.050775... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Al", "attached"... | [
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"Ni",
"Al",
"Al",
"Al",
"Al",
"Zr",
"Zr",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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[
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] | -74.658173 | [
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0.001,
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[
0.00121588,
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[
0.00122129,
0,
0... | 2.159235 | 8.207418 | pbe | true | 1672e77d7ecfc2e8acc9d80a1faffc22_59_Zr4Al4Ni4 |
[
"Al",
"Np",
"Pd"
] | 8 | A2BC | AlNpPd2 | Np2 Al2 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
4.39360815,
0,
0
],
[
-2.19680407,
3.80497627,
0
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[
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] | agm002250252 | [
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[
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[
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[
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[
-1.86347075... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Np", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Np"]}, {"mass": null, "name": "Pd", "attached"... | [
"Np",
"Np",
"Al",
"Al",
"Pd",
"Pd",
"Pd",
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] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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[
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[
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] | -57.618178 | [
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[
0,
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[
0,
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]
] | 8.025135 | 20.546846 | pbe | true | c48f5d01df5d1d06032868d5f545f8fb_194_Np2Al2Pd4 |
[
"Al",
"O",
"Pr"
] | 19 | A11B4C4 | Al4O11Pr4 | Al4 O11 Pr4 | 3 | [
1,
1,
1
] | 3 | [
[
5.342789,
-0.025159,
0.000051
],
[
-0.024815,
5.303279,
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],
[
0.000051,
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]
] | oqmd-2031580 | [
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[
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[
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3.7542400000000007
],
[
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],... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pr", "attached": ... | [
"Al",
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"O",
"O",
"O",
"O",
"O",
"O",
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"Pr",
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] | 2024-11-01 00:00:00 | [
0.21052631578947367,
0.5789473684210527,
0.21052631578947367
] | [
[
46.8744,
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[
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47.20781,
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],
[
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] | -147.123 | [
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[
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[
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[
-0.016... | 0.002173 | null | pbe | true | b291db62cca2e9606920ba3196b1e379_1_Pr4Al4O11 |
[
"Al",
"O",
"Se"
] | 4 | A2BC | AlOSe2 | Al1 Se2 O1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.11452154,
3.11452154
],
[
3.11452154,
0,
3.11452154
],
[
3.11452154,
3.11452154,
0
]
] | agm002716957 | [
[
0,
0,
0
],
[
3.11452154,
3.11452154,
3.11452154
],
[
1.55726077,
1.55726077,
1.55726077
],
[
4.67178231,
4.67178231,
4.67178231
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Al", "attached": ... | [
"O",
"Al",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.4685256,
0,
0
],
[
0,
0.4685256,
0
],
[
0,
0,
0.4685256
]
] | -14.614039 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000072 | 3.458401 | pbe | true | 1b01b76dbd41ca586cf599cf89eb5543_225_Al1Se2O1 |
[
"Al",
"Os",
"Sb"
] | 4 | A2BC | AlOs2Sb | Al1 Sb1 Os2 | 3 | [
1,
1,
1
] | 3 | [
[
3.33187576,
0,
0
],
[
0,
3.33187576,
0
],
[
0,
0,
5.90323203
]
] | agm003829993 | [
[
0,
0,
2.8716107509761364
],
[
0,
0,
5.570273627684558
],
[
1.66593788,
1.66593788,
1.6459631217266417
],
[
1.66593788,
1.66593788,
4.670232515580343
]
] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Al", "attached"... | [
"Sb",
"Os",
"Os",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
7.0233297,
0,
0
],
[
0,
7.0233297,
0
],
[
0,
0,
7.3178
]
] | -28.951762 | [
-0.001,
0.003,
0.136,
-0.001
] | [
[
0,
0,
0.01277634
],
[
0,
0,
-0.00146922
],
[
0,
0,
-0.00548007
],
[
0,
0,
-0.00582705
]
] | 0.138595 | 2.37821 | pbe | true | ab07869cd59bfd73ca42b0715d5f7da3_99_Al1Sb1Os2 |
[
"Al",
"Pb",
"W"
] | 3 | ABC | AlPbW | Al1 Pb1 W1 | 3 | [
1,
1,
1
] | 3 | [
[
4.73577687,
0,
0
],
[
-2.36788844,
4.10130308,
0
],
[
0,
0,
3.01779149
]
] | agm004036892 | [
[
2.3678884570122176,
1.3671010129956565,
1.005739068093151
],
[
0,
0,
2.5160643107440492
],
[
-2.7012218202688136e-8,
2.7342020670043437,
2.5137796011628
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Al", "attached": ... | [
"Pb",
"Al",
"W"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
5.8535237,
0,
0
],
[
0,
5.8535237,
0
],
[
0,
0,
5.93546
]
] | -18.038835 | [
0,
0,
0
] | [
[
0,
0,
-0.00007269
],
[
0,
0,
-0.00112994
],
[
0,
0,
0.00120263
]
] | -0.000006 | 2.164905 | pbe | true | d7b61998b098cd6ff38465354f208c41_187_Al1Pb1W1 |
[
"Al",
"Pb",
"Zn"
] | 5 | A3BC | AlPbZn3 | Al1 Zn3 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
4.90684614,
0,
0
],
[
0,
4.90684614,
0
],
[
0,
0,
4.90684614
]
] | agm002396423 | [
[
2.45342307,
2.45342307,
2.45342307
],
[
0,
2.45342307,
0
],
[
0,
0,
2.45342307
],
[
2.45342307,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached"... | [
"Pb",
"Zn",
"Zn",
"Zn",
"Al"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
4.6271386,
0,
0
],
[
0,
4.6271386,
0
],
[
0,
0,
4.6271386
]
] | -9.345415 | [
0,
0.002,
0.004,
-0.006,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.784621 | pbe | true | fe457c8e670908585ebb32f35bfb1d75_221_Al1Zn3Pb1 |
[
"Al",
"Pd",
"Sm"
] | 28 | A4B2C | Al4Pd2Sm | Sm4 Al16 Pd8 | 3 | [
1,
1,
1
] | 3 | [
[
4.3455214,
0,
0
],
[
0,
6.62142242,
0
],
[
0,
0,
17.39751955
]
] | agm005961004 | [
[
1.08638035,
4.9989326424670155,
9.353211314622515
],
[
3.25914105,
1.6224897775329847,
8.044308235377484
],
[
3.25914105,
1.688221432467015,
16.743068010377485
],
[
1.08638035,
4.9332009875329845,
0.654451539622516
],
[
1.08638035,
6.46783495... | [{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached"... | [
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Pd",
"Al",
"Al",
"Al",
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"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al",
"Sm",
"Sm",
"Sm",
"Sm"
] | 2023-11-16 06:57:59 | [
0.5714285714285714,
0.2857142857142857,
0.14285714285714285
] | [
[
2.0841563,
0,
0
],
[
0,
1.9493016,
0
],
[
0,
0,
1.9163535
]
] | -141.560695 | [
0,
0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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],
[
0,
0.00351458,
0.00534493
],
[
0,
-0.00351458,
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],
[
0,
0.00351458,
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],
[
0,
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0.00015882
],
[
0,
0.00253367,
-0.00015882
],
[
0,
-0.00253367,
... | -0 | 11.454457 | pbe | true | a65a8f98de6ef8e05e0e4567c231f37a_62_Sm4Al16Pd8 |
[
"Al",
"Pd",
"Th"
] | 6 | A3B2C | Al2Pd3Th | Th1 Al2 Pd3 | 3 | [
1,
1,
1
] | 3 | [
[
3.98905505,
0,
0
],
[
0,
5.63359845,
0
],
[
0,
-2.81679923,
4.87883937
]
] | agm002327317 | [
[
1.994527525,
1.40839961,
2.439419685
],
[
1.994527525,
2.816799225,
0
],
[
1.994527525,
-1.408399615,
2.439419685
],
[
0,
0,
0
],
[
0,
2.816799251501326,
1.626279773737202
],
[
0,
-3.150132564159434e-8,
3.2525595962627976
... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pd", "attached"... | [
"Pd",
"Pd",
"Pd",
"Th",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.5,
0.16666666666666666
] | [
[
2.900825,
0,
0
],
[
0,
3.3051453,
0
],
[
0,
0,
3.3051453
]
] | -35.274044 | [
0.002,
0.006,
0.015,
0.076,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.181314 | 3.657394 | pbe | true | 31b26c67ac625849854c67b8dd83f0a2_191_Th1Al2Pd3 |
[
"Al",
"Pr",
"Sc"
] | 4 | A2BC | Al2PrSc | Pr1 Sc1 Al2 | 3 | [
1,
1,
1
] | 3 | [
[
3.44840472,
0,
0
],
[
1.72420236,
2.98640609,
0
],
[
1.72420236,
0.9954687,
9.47018918
]
] | agm001962225 | [
[
3.44840472,
1.990937395,
4.73509459
],
[
0,
0,
0
],
[
5.172605338555616,
2.9864050871417933,
7.287812683440324
],
[
1.7242041014443836,
0.9954697028582069,
2.1823764965596766
]
] | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Sc", "attached"... | [
"Pr",
"Sc",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.5992306,
0,
0
],
[
0,
1.5992306,
0
],
[
0,
0,
1.5364178
]
] | -18.978073 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00088612
],
[
0,
0,
0.00088612
]
] | 0.000011 | 3.475033 | pbe | true | 9f200f6ecc22a27c4bf65fc18c0372da_166_Pr1Sc1Al2 |
[
"Al",
"Pm",
"Sm"
] | 8 | A2BC | AlPmSm2 | Pm2 Sm4 Al2 | 3 | [
1,
1,
1
] | 3 | [
[
5.3532297,
0,
0
],
[
0,
7.02938145,
-0.00137874
],
[
0,
-3.50955163,
6.09058724
]
] | agm003623580 | [
[
2.67661485,
1.6455904111515711,
5.009225554738208
],
[
2.67661485,
0.0004229036376228497,
2.1631311459245026
],
[
2.67661485,
-1.6380676014584594,
5.008787313247982
],
[
0,
1.8750589131835718,
1.0769649351355641
],
[
0,
3.5224311717001715,
... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Sm", "attached"... | [
"Pm",
"Pm",
"Sm",
"Sm",
"Sm",
"Sm",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.50148535,
0,
0
],
[
0,
0.51096547,
0.00140557
],
[
0,
0.00140557,
0.51258457
]
] | -37.352555 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.00050912,
-0.00250866
],
[
0,
0.00191977,
0.00169324
],
[
0,
0.0007209,
-0.00041671
],
[
0,
0.00033973,
0.00222329
],
[
0,
-0.00175702,
-0.00140403
],
[
0,
-0.00116991,
0.00067626
],
[
0,
0.0003156,
-... | 0.000009 | 7.402762 | pbe | true | 0c0d42305e3b9aa8bf4b821a8c3704df_38_Pm2Sm4Al2 |
[
"Al",
"Pt",
"Tl"
] | 5 | A3BC | AlPt3Tl | Al1 Tl1 Pt3 | 3 | [
1,
1,
1
] | 3 | [
[
5.02429558,
0,
0
],
[
0,
5.02429558,
0
],
[
0,
0,
5.02429558
]
] | agm002396172 | [
[
0,
0,
0
],
[
2.51214779,
2.51214779,
2.51214779
],
[
0,
2.51214779,
0
],
[
0,
0,
2.51214779
],
[
2.51214779,
0,
0
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pt", "attached"... | [
"Tl",
"Al",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
4.0615673,
0,
0
],
[
0,
4.0615673,
0
],
[
0,
0,
4.0615673
]
] | -17.962272 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 6.191787 | pbe | true | 9685d60f01cc466429f55612874db882_221_Al1Tl1Pt3 |
[
"Al",
"Pt",
"Tl"
] | 4 | A2BC | AlPt2Tl | Al1 Tl1 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
5.09330863,
-0.00234064,
0.00805763
],
[
3.91425297,
3.25889888,
0.00805763
],
[
1.22465033,
0.44275524,
4.23955165
]
] | agm003792330 | [
[
5.227166000800667,
1.8898089465365298,
2.2903698862014297
],
[
2.580618650516141,
0.9329866727066416,
0.7179455846806836
],
[
8.877738364083818,
3.209622459905758,
0.3139422913826701
],
[
7.6703565696749925,
2.773110413416653,
3.0773578628963696
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pt", "attached"... | [
"Tl",
"Al",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
6.5387864,
0.14241727,
-0.0536525
],
[
0.14241727,
6.1963525,
-0.01939731
],
[
-0.05365271,
-0.01939739,
6.671725
]
] | -19.42861 | [
0,
0,
0,
0
] | [
[
-0.00671115,
-0.00242632,
0.00716284
],
[
0.00513792,
0.00185754,
-0.00863341
],
[
-0.00738189,
-0.00266882,
-0.00499961
],
[
0.00895512,
0.0032376,
0.00647019
]
] | 0 | 1.050651 | pbe | true | 9a2ca667cc46518c905024d3531c3a70_8_Al1Tl1Pt2 |
[
"Al",
"Pu",
"Sn"
] | 11 | A6B4C | Al4PuSn6 | Pu1 Al4 Sn6 | 3 | [
1,
1,
1
] | 3 | [
[
6.06838282,
-0.01232223,
0.00449285
],
[
-0.01454468,
6.06850456,
-0.00383018
],
[
-3.03633973,
-3.03575214,
7.46027657
]
] | agm002253108 | [
[
1.4060030175645002,
-1.4275745555907842,
5.344553405066643
],
[
1.6324899787976916,
1.636963925687519,
2.108029149778529
],
[
-1.4257279036951414,
1.4041541141449785,
5.341781893200967
],
[
4.427396212677713,
4.431741572981567,
2.1252859084804965
],
... | [{"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pu", "attached"... | [
"Al",
"Al",
"Al",
"Al",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Sn",
"Pu"
] | 2023-11-16 06:57:59 | [
0.36363636363636365,
0.09090909090909091,
0.5454545454545454
] | [
[
3.78247,
-0.04442662,
-0.030556
],
[
-0.04442488,
3.7644613,
-0.03070799
],
[
-0.0305559,
-0.03070769,
3.545413
]
] | -53.08686 | [
-0.001,
-0.001,
-0.001,
0,
0.005,
0.005,
0.006,
0.004,
0.006,
0.004,
5.242
] | [
[
0.00296441,
-0.00094558,
0.0018985
],
[
-0.00092474,
-0.0011579,
-0.00154412
],
[
-0.00104182,
0.00239427,
0.00184131
],
[
-0.00034958,
0.00018279,
-0.00042162
],
[
-0.00581192,
-0.0005568,
-0.0038394
],
[
-0.00062149,
-0.0060... | 5.5977 | 10.885726 | pbe | true | 6b06795d693abf87b85c01f0ffdabfbe_8_Pu1Al4Sn6 |
[
"Al",
"Pu",
"Tb"
] | 4 | A2BC | Al2PuTb | Tb1 Pu1 Al2 | 3 | [
1,
1,
1
] | 3 | [
[
3.19791369,
0,
0
],
[
0,
3.19791369,
0
],
[
0,
0,
8.86612046
]
] | agm001159611 | [
[
1.598956845,
1.598956845,
4.43306023
],
[
0,
0,
6.657144190970715
],
[
0,
0,
2.2089762690292845
],
[
1.598956845,
1.598956845,
0
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Pu", "attached"... | [
"Tb",
"Al",
"Al",
"Pu"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.371727,
0,
0
],
[
0,
2.371727,
0
],
[
0,
0,
1.659196
]
] | -27.426764 | [
0.088,
0.027,
0.027,
-5.317
] | [
[
0,
0,
0
],
[
0,
0,
0.00068906
],
[
0,
0,
-0.00068906
],
[
0,
0,
0
]
] | -5.365477 | 7.39005 | pbe | true | 7162e3ef8db129d85fd9cdb08b630db7_123_Tb1Pu1Al2 |
[
"Al",
"Sc",
"Tl"
] | 8 | A2BC | AlSc2Tl | Sc4 Al2 Tl2 | 3 | [
1,
1,
1
] | 3 | [
[
7.77295566,
0,
0
],
[
0,
7.77295566,
0
],
[
3.88647783,
3.88647783,
3.13934712
]
] | agm002791121 | [
[
5.766145549405134,
1.943238915,
0.78483678
],
[
2.006810110594867,
5.829716745,
0.78483678
],
[
5.829716745,
5.893287940594867,
2.35451034
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[
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9.652623379405133,
2.35451034
],
[
0,
0,
0
],
[
7.77295566,
3.8864778... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Sc",
"Sc",
"Sc",
"Tl",
"Tl",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.6958864,
0,
0
],
[
0,
1.6958864,
0
],
[
0,
0,
7.623394
]
] | -37.098163 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00272414,
0,
0
],
[
0.00272414,
0,
0
],
[
0,
0.00272414,
0
],
[
0,
-0.00272414,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000477 | 9.769341 | pbe | true | 6638fd1247718f91611236a2a25255be_122_Sc4Al2Tl2 |
[
"Al",
"Se",
"Ta"
] | 12 | A3B2C | Al2Se3Ta | Ta2 Al4 Se6 | 3 | [
1,
1,
1
] | 3 | [
[
3.4354614,
0,
0
],
[
0,
8.68192252,
0.35435509
],
[
0,
-2.02818595,
9.61227636
]
] | agm002251088 | [
[
0.85886535,
5.338406605883121,
0.960614778735728
],
[
2.57659605,
1.3153299641168785,
9.006016671264272
],
[
2.57659605,
6.716334502873527,
5.614082009168162
],
[
0.85886535,
-0.06259793287352639,
4.3525494408318375
],
[
2.57659605,
7.0086754... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Al", "attached"... | [
"Al",
"Al",
"Al",
"Al",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.5,
0.16666666666666666
] | [
[
0.87888074,
0,
0
],
[
0,
1.1047139,
-0.10060586
],
[
0,
-0.10060631,
1.0239019
]
] | -65.121427 | [
0.017,
0.017,
0.011,
0.011,
0.009,
0.009,
0.025,
0.025,
0.002,
0.002,
0.263,
0.263
] | [
[
0,
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],
[
0,
0.00225977,
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],
[
0,
0.00444475,
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],
[
0,
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],
[
0,
0.00572254,
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],
[
0,
-0.00572254,
0.00759788
],
[
0,
0.00068287,
... | 1.311596 | 2.721191 | pbe | true | b3fe01c642b8acbc36dc8d8be1f0338a_11_Ta2Al4Se6 |
[
"Al",
"Si",
"Zr"
] | 9 | ABC | AlSiZr | Zr3 Al3 Si3 | 3 | [
1,
1,
1
] | 3 | [
[
4.64233891,
-5.49914734,
0
],
[
4.64233891,
5.49914734,
0
],
[
0,
0,
3.12040994
]
] | agm005502595 | [
[
9.057794461693579,
1.5478052587188815e-16,
1.56020497
],
[
4.580814363812883,
2.194452893213222,
0
],
[
4.580814363812883,
-2.194452893213222,
0
],
[
1.8861541665592056,
-1.3113590096827592,
0
],
[
1.8861541665592054,
1.3113590096827592,
... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Si", "attached"... | [
"Zr",
"Zr",
"Zr",
"Al",
"Al",
"Al",
"Si",
"Si",
"Si"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
2.5488636,
0,
0
],
[
0,
2.2003741,
0
],
[
0,
0,
2.141991
]
] | -56.212528 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00651043,
0,
0
],
[
-0.00095851,
0.00458007,
0
],
[
-0.00095851,
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0
],
[
0.00285528,
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0
],
[
0.00285528,
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0
],
[
0.00666224,
0,
0
],
[
-0.00512375,
0.0003068,
0
],
[... | 0 | 2.878338 | pbe | true | 3efe86c65ff2e1b972e00cf4fcb96af1_38_Zr3Al3Si3 |
[
"Al",
"Th",
"Tm"
] | 9 | A6B2C | Al6Th2Tm | Tm1 Th2 Al6 | 3 | [
1,
1,
1
] | 3 | [
[
3.69676752,
0,
-9.9e-7
],
[
-3e-8,
6.83841086,
-3.94814889
],
[
-9.3e-7,
-0.00000807,
7.89630986
]
] | agm005625387 | [
[
-9.2999907e-7,
-0.00000806999193,
7.8963019636901395
],
[
0.00000306676815,
2.27946262720176,
3.9481529951753997
],
[
-3.299997e-7,
4.5589401628063095,
7.851374971497196e-8
],
[
1.8483834430268544,
2.2579062950272046,
1.303604715412549
],
[
1.848... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tm",
"Th",
"Th",
"Al",
"Al",
"Al",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.2222222222222222,
0.1111111111111111
] | [
[
0.3508022,
-3e-8,
-1.4e-7
],
[
-3e-8,
0.37913945,
-5e-8
],
[
-1.4e-7,
-5e-8,
0.37913924
]
] | -45.601742 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.00158521,
0.00091522
],
[
0,
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[
0,
0,
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],
[
0,
-0.00158521,
0.00091522
],
[
0,
0.00158521,
-0.00091522
],
... | -0.000011 | 4.167125 | pbe | true | b8ff1480bca1f3c35f8ce286c45b1231_191_Tm1Th2Al6 |
[
"Al",
"Tm",
"Y"
] | 8 | A3B3C2 | Al3Tm3Y2 | Y2 Tm3 Al3 | 3 | [
1,
1,
1
] | 3 | [
[
3.60827516,
0,
-0.58111229
],
[
-0.19181681,
4.9528848,
-1.19104185
],
[
-0.05810914,
0.05136977,
11.13210246
]
] | agm005577744 | [
[
0.7955831428367124,
3.8421148165094183,
4.93999394970933
],
[
2.5627660671632877,
1.162139753490581,
4.419954370290671
],
[
1.256079431123432,
1.924183112009646,
7.799336069415379
],
[
2.102269778876568,
3.0800714579903534,
1.5606122505846212
],
[
... | [{"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Tm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tm"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Y",
"Tm",
"Tm",
"Tm",
"Al",
"Al",
"Al"
] | 2023-11-16 06:57:59 | [
0.375,
0.375,
0.25
] | [
[
0.9501494,
-0.00521282,
-0.02875889
],
[
-0.00521282,
0.8981933,
-0.03236795
],
[
-0.02875889,
-0.03236795,
0.77621025
]
] | -39.898064 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00028657,
0.00043899,
0.00177937
],
[
-0.00028657,
-0.00043899,
-0.00177937
],
[
-0.00030895,
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-0.00191836
],
[
0.00030895,
0.00047328,
0.00191836
],
[
0,
0,
0
],
[
0.00006726,
0.00010303,
0.00041762
],
[... | 0.000003 | 5.278129 | pbe | true | 1c92a855989ed5cd094ce4bd1752e2f0_71_Y2Tm3Al3 |
[
"As",
"Au",
"Br"
] | 4 | A2BC | AsAu2Br | As1 Au2 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
3.74804922,
0,
0
],
[
0,
5.0981742,
0.02786478
],
[
0,
1.90855024,
4.72427875
]
] | agm003904207 | [
[
1.87402461,
5.25504333,
3.5641076474999998
],
[
0,
6.794203935005068,
4.607792446959264
],
[
0,
3.7158827249949327,
2.5204228480407354
],
[
1.87402461,
1.75168111,
1.1880358825
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Br", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Br"]}, {"mass": null, "name": "Au", "attached"... | [
"As",
"Au",
"Au",
"Br"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.317405,
0,
0
],
[
0,
2.1396215,
-0.20382802
],
[
0,
-0.20382814,
2.498449
]
] | -12.240288 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
-0.0023081,
-0.00072887
],
[
0,
0.0023081,
0.00072887
],
[
0,
0,
0
]
] | 0 | 1.570334 | pbe | true | 627a5952c423abc885d43d188ba33bb3_65_As1Au2Br1 |
[
"Al",
"Zn",
"Zr"
] | 5 | A3BC | AlZnZr3 | Zr3 Al1 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
5.00172516,
0,
0
],
[
0,
5.00172516,
0
],
[
0,
0,
5.00172516
]
] | agm002396438 | [
[
2.50086258,
2.50086258,
2.50086258
],
[
0,
0,
0
],
[
0,
2.50086258,
0
],
[
0,
0,
2.50086258
],
[
2.50086258,
0,
0
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Al", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Al"]}, {"mass": null, "name": "Zn", "attached"... | [
"Zn",
"Al",
"Zr",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
2.2596138,
0,
0
],
[
0,
2.2596138,
0
],
[
0,
0,
2.2596138
]
] | -27.479778 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.760664 | pbe | true | 88307960901a133ef8fbd77a6ea667e1_221_Zr3Al1Zn1 |
[
"As",
"Au",
"Ce"
] | 4 | A2BC | As2AuCe | Ce1 As2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
4.53512758,
0,
0
],
[
2.26756379,
3.92753569,
0
],
[
2.26756379,
1.30917856,
7.36230784
]
] | agm001957042 | [
[
2.2675615224362105,
1.3091772519146812,
4.947667221230093
],
[
6.802693637563791,
3.927536998085319,
2.414640618769907
],
[
0,
0,
0
],
[
4.53512758,
2.618357125,
3.68115392
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ce", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ce"]}, {"mass": null, "name": "Au", "attached"... | [
"As",
"As",
"Au",
"Ce"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.4841859,
0,
0
],
[
0,
1.4841859,
0
],
[
0,
0,
1.5551124
]
] | -19.77939 | [
0.001,
0.001,
0,
0.004
] | [
[
0,
0,
-0.00208426
],
[
0,
0,
0.00208426
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.006654 | 6.365701 | pbe | true | 9252031f1e6155a89b6cc7556be8305c_166_Ce1As2Au1 |
[
"As",
"Ba",
"C"
] | 8 | A2BC | AsBaC2 | Ba2 As2 C4 | 3 | [
1,
1,
1
] | 3 | [
[
6.17482125,
0,
0
],
[
0,
6.17482125,
0
],
[
3.08741062,
3.08741062,
3.69869218
]
] | agm002809386 | [
[
3.8982467172494126,
1.54370531125,
0.924673045
],
[
2.2765745302505875,
4.63111593625,
0.924673045
],
[
4.631115933749999,
5.363985152750587,
2.774019135
],
[
7.71852655875,
6.985657339749412,
2.774019135
],
[
3.087410625,
3.087410625,
0
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "C", "attached":... | [
"C",
"C",
"C",
"C",
"As",
"As",
"Ba",
"Ba"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.0813822,
0,
0
],
[
0,
1.0813822,
0
],
[
0,
0,
-0.87668025
]
] | -42.604109 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00359138,
0,
0
],
[
0.00359138,
0,
0
],
[
0,
0.00359138,
0
],
[
0,
-0.00359138,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.845722 | pbe | true | 3fa6eb438e731e73e7c0a177ffb631ad_122_Ba2As2C4 |
[
"As",
"Ba",
"Mn"
] | 4 | A2BC | AsBaMn2 | Ba1 Mn2 As1 | 3 | [
1,
1,
1
] | 3 | [
[
5.49288195,
0.03963257,
0.10877497
],
[
-2.76086202,
5.51872824,
-0.33684803
],
[
-0.02883708,
1.11651059,
3.06430955
]
] | agm004157691 | [
[
-1.39484955,
3.317619415,
1.36373076
],
[
1.3660099650000002,
2.779180405,
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],
[
0,
0,
0
],
[
2.732022435,
0.57807158,
1.5865422599999999
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mn", "attached"... | [
"As",
"Ba",
"Mn",
"Mn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.250103,
-0.08658719,
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],
[
-0.08658732,
1.0482869,
-0.02875938
],
[
-0.23764062,
-0.02875938,
0.9798338
]
] | -22.581087 | [
-0.019,
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3.83,
3.83
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.811019 | 3.50163 | pbe | true | e4c09a6905fa26b6343210c70e25941c_12_Ba1Mn2As1 |
[
"As",
"Br",
"W"
] | 4 | A2BC | As2BrW | As2 W1 Br1 | 3 | [
1,
1,
1
] | 3 | [
[
8.34075388,
-0.06199962,
-0.03673509
],
[
7.68526079,
3.24172575,
-0.03673509
],
[
7.68526079,
1.52483478,
2.86094639
]
] | agm003914402 | [
[
0.3196132922100148,
0.0634145642390358,
0.037573451075549796
],
[
11.536024437789985,
2.2888658907609645,
1.3561646539244503
],
[
5.927818865,
1.1761402275,
0.6968690525
],
[
17.783456595,
3.5284206825,
2.0906071575
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Br", "attached": ... | [
"As",
"As",
"Br",
"W"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
2.092499,
-0.1180378,
-0.06993799
],
[
-0.1180378,
2.6639967,
-0.01387642
],
[
-0.06993799,
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2.679195
]
] | -23.323532 | [
0,
0,
0,
0
] | [
[
0.00434771,
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0.00051111
],
[
-0.00434771,
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-0.00051111
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 2.438526 | pbe | true | 2a326fdb1331787de161a1c1135494e9_166_As2W1Br1 |
[
"As",
"Ca",
"In"
] | 10 | A2B2C | As2Ca2In | Ca4 In2 As4 | 3 | [
1,
1,
1
] | 3 | [
[
5.89538189,
0,
0
],
[
2.94769094,
6.84518166,
0.3076373
],
[
2.94769095,
2.53362327,
7.55175267
]
] | agm003405305 | [
[
5.895378943264071,
2.624223816486701,
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[
5.895384836735929,
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],
[
2.9476909426322213,
5.383454043043341,
1.940566358624302
],
[
8.84307283736778,
3.9953508869566585,
5.918823611375698
],
[
2... | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "As", "attached"... | [
"Ca",
"Ca",
"Ca",
"Ca",
"In",
"In",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
1.5032246,
0,
0
],
[
0,
1.5951548,
0.01999443
],
[
0,
0.01999438,
1.6110241
]
] | -39.026509 | [
0.023,
0.023,
0.033,
0.033,
0.036,
0.036,
0.017,
0.017,
0.028,
0.028
] | [
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0,
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[
0,
0.0003031,
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[
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0.00177926,
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[
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[
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[
0,
0.00118852,
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],
[
0,
-0.00226064,
... | 0.979715 | 5.572572 | pbe | true | 326670411158eedac987aef48f277a11_12_Ca4In2As4 |
[
"As",
"Ca",
"Cd"
] | 10 | A2B2C | As2Ca2Cd | Ca4 Cd2 As4 | 3 | [
1,
1,
1
] | 3 | [
[
8.70084215,
0,
0
],
[
0,
8.70084215,
0
],
[
0,
0,
3.33449204
]
] | agm002964748 | [
[
1.4154369914124438,
5.765858066412444,
1.66724602
],
[
5.765858066412444,
7.285405158587555,
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[
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],
[
2.9349840835875556,
1.4154369914124438,
1.66724602
],
[
3.145747541273337,
7.4... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ca", "attached"... | [
"As",
"As",
"As",
"As",
"Ca",
"Ca",
"Ca",
"Ca",
"Cd",
"Cd"
] | 2023-11-16 06:57:59 | [
0.4,
0.4,
0.2
] | [
[
2.2891464,
0,
0
],
[
0,
2.2891464,
0
],
[
0,
0,
2.0066316
]
] | -34.443436 | [
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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
],
[
-0.01085855,
0.01085855,
0
],
[
0.01085855,
0.010... | 0 | 6.267833 | pbe | true | 201a7bc63b7f4d26cf142901fd00cc21_127_Ca4Cd2As4 |
[
"As",
"Cl",
"Hg"
] | 4 | A2BC | AsCl2Hg | Hg1 As1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.7750409,
0,
0
],
[
0,
5.43068465,
0.00206496
],
[
0,
1.92707486,
5.09073165
]
] | agm003984179 | [
[
1.88752045,
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3.804008007527324
],
[
0,
3.834315109851412,
2.6493179887152802
],
[
0,
6.910814670786441,
4.784260278607365
],
[
1.88752045,
2.1567979385000227,
1.494405301057347
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cl", "attached"... | [
"As",
"Hg",
"Cl",
"Cl"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.1344768,
0,
0
],
[
0,
1.1563424,
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],
[
0,
-0.0073641,
1.0070925
]
] | -9.111999 | [
0,
0,
0,
0
] | [
[
0,
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[
0,
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],
[
0,
-0.00024757,
-0.00186023
],
[
0,
0.00366733,
0.0017601
]
] | 0 | 1.540706 | pbe | true | 4899a8a49b000f8733663fdff2cac416_6_Hg1As1Cl2 |
[
"As",
"Cl",
"In"
] | 4 | A2BC | AsCl2In | In1 As1 Cl2 | 3 | [
1,
1,
1
] | 3 | [
[
3.46849738,
0,
0
],
[
0,
5.48475892,
0
],
[
0,
0,
5.35843167
]
] | agm004034727 | [
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[
0,
0,
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[
1.73424869,
2.74237946,
1.071492144436279
],
[
0,
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]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cl"]}, {"mass": null, "name": "In", "attached"... | [
"As",
"Cl",
"Cl",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
0.95328003,
0,
0
],
[
0,
0.97415406,
0
],
[
0,
0,
0.61046654
]
] | -12.273905 | [
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
0.00077906
],
[
0,
0,
0.00619808
],
[
0,
0,
0.00275109
]
] | 0 | 1.233779 | pbe | true | 5e6309daba3560e6a48a91db9a59a6c9_25_In1As1Cl2 |
[
"As",
"Co",
"Tl"
] | 3 | ABC | AsCoTl | Tl1 Co1 As1 | 3 | [
1,
1,
1
] | 3 | [
[
6.73676521,
-0.00591768,
0.00623588
],
[
6.0489913,
2.96543942,
0.0071799
],
[
0.68777251,
0.15829351,
2.96713724
]
] | agm003943788 | [
[
1.30174072175936,
0.3004247615721989,
2.817208475201844
],
[
8.387488091518957,
1.9411296834993919,
1.0872574565510833
],
[
4.472072656231758,
1.0345543165705213,
2.043224357856086
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Co", "attached"... | [
"As",
"Co",
"Tl"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
3.6317549,
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],
[
-0.00567076,
3.6221726,
-0.00413163
],
[
-0.00651634,
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3.6284063
]
] | -13.713956 | [
-0.02,
0.756,
0.003
] | [
[
0.00085345,
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[
-0.00184884,
-0.00044601,
0.0004344
],
[
0.00099539,
0.00008151,
-0.0003843
]
] | 0.709911 | 1.340746 | pbe | true | d3cd73d5b9dc207a38a8962eb8346a09_107_Tl1Co1As1 |
[
"As",
"Cr",
"Te"
] | 12 | ABC | AsCrTe | Cr4 Te4 As4 | 3 | [
1,
1,
1
] | 3 | [
[
6.47884576,
0.00015355,
0.00011771
],
[
-0.00016707,
6.51655869,
0.00842359
],
[
-0.00019241,
3.34712496,
5.58134355
]
] | agm002266190 | [
[
3.195476591121212,
2.397672989289151,
1.448931226449772
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[
3.283009688878788,
7.466164210710849,
4.140953623550227
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[
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1.3503472267919345
],
[
0.04367012811000089,
4.071180584051645,
4.239537623208065
],
[
... | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Te", "attached"... | [
"Cr",
"Cr",
"Cr",
"Cr",
"As",
"As",
"As",
"As",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.1188425,
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[
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],
[
-0.00015151,
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1.1001873
]
] | -70.783414 | [
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1.352,
-0.103,
-0.103,
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-0.069,
-0.069,
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] | [
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[
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[
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[
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[
0.00227721,
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],
[
0.00206445,
0.00301376... | 4.725001 | 5.286635 | pbe | true | 3a7fafe38cbd24574794a65f7480dd65_14_Cr4Te4As4 |
[
"As",
"Cs",
"Ir"
] | 8 | A3B3C2 | As2Cs3Ir3 | Cs3 As2 Ir3 | 3 | [
1,
1,
1
] | 3 | [
[
5.82373307,
-0.00020643,
-0.00121664
],
[
2.91168773,
5.04361482,
-0.00107385
],
[
2.91374801,
1.68203962,
7.81864924
]
] | agm002329942 | [
[
5.8245844049999995,
3.362724005,
3.908179375
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[
8.735985801808486,
5.043679213066026,
2.0738797748372435
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[
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],
[
2.9122053855626002,
1.6813208854892405,
1.765409223152631
],
[
8.7369634... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Cs", "attached"... | [
"Cs",
"Cs",
"Cs",
"As",
"As",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.25,
0.375,
0.375
] | [
[
2.0715625,
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],
[
0.02775759,
2.0378468,
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],
[
-0.02495877,
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2.2629519
]
] | -38.003613 | [
0.001,
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-0.001,
0.02,
0.02,
0.26,
0.26,
0.26
] | [
[
0,
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[
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[
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[
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[
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0.00242278
],
[
0,
0,
0
],
[
0,
0,
0
],
... | 0.880481 | 8.231708 | pbe | true | 5c7da0a59112f4df374e9fff5f82d549_166_Cs3As2Ir3 |
[
"As",
"Cs",
"O"
] | 8 | A2BC | AsCsO2 | Cs2 As2 O4 | 3 | [
1,
1,
1
] | 3 | [
[
5.36993222,
0.09045208,
0.13085774
],
[
-1.99268242,
6.05241325,
-0.08689597
],
[
-1.99267515,
-2.22043583,
5.63107748
]
] | agm002169198 | [
[
2.034773242140756,
0.6961304297304476,
3.7602560558935756
],
[
-0.6501985921407565,
3.226299070269552,
1.9147831941064244
],
[
2.0347661075361083,
5.586364508105226,
0.3802485624374799
],
[
-0.6501914575361084,
-1.6639350081052258,
5.294790687562521
],... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Cs", "attached": ... | [
"Cs",
"Cs",
"As",
"As",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.503423,
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[
-0.03531344,
0.51220727,
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],
[
-0.05110684,
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0.478236
]
] | -42.464645 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
2e-7,
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],
[
-2e-7,
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[
-5.3e-7,
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[
5.3e-7,
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],
[
-0.00146344,
-0.00065417,
0.00078123
],
[
0.00146358,
-0.00096376,
0.0003368
... | 0 | 0 | pbe | true | 2153448a3efdc08fe1963ac299847570_15_Cs2As2O4 |
[
"As",
"Cu",
"Fe"
] | 10 | A2B2C | As2CuFe2 | Fe4 Cu2 As4 | 3 | [
1,
1,
1
] | 3 | [
[
6.7655023,
0,
0
],
[
0,
6.7655023,
0
],
[
0,
0,
2.8276838
]
] | agm002976059 | [
[
1.067182552474355,
4.449933702474355,
1.4138419
],
[
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[
2.315568597525645,
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[
2.43726205532155,
5.8200132053... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Cu", "attached"... | [
"As",
"As",
"As",
"As",
"Fe",
"Fe",
"Fe",
"Fe",
"Cu",
"Cu"
] | 2023-11-16 06:57:59 | [
0.4,
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[
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[
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] | -59.632419 | [
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[
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[
0.00063903,
0.000... | 0.000006 | 9.974981 | pbe | true | 938e12390424013f01bb503ba113cbfe_127_Fe4Cu2As4 |
[
"As",
"Cu",
"Ru"
] | 4 | A2BC | AsCu2Ru | Cu2 As1 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
3.65953347,
0,
0
],
[
0,
2.90641458,
0.00849171
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[
0,
1.36849394,
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] | agm003799389 | [
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[
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[
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Cu", "attached"... | [
"As",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -21.799709 | [
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[
0,
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[
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0.00443399,
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]
] | 0 | 1.610796 | pbe | true | 9e40afa1655b9bb1da1b6e6926260fe7_6_Cu2As1Ru1 |
[
"As",
"Dy",
"Ho"
] | 8 | A2BC | As2DyHo | Dy2 Ho2 As4 | 3 | [
1,
1,
1
] | 3 | [
[
7.89853667,
-2e-8,
0
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[
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0
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[
0,
0,
15.02038735
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] | agm2000083865 | [
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[
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[
-1.7... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ho", "attached"... | [
"As",
"As",
"As",
"As",
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"Ho",
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] | 2023-11-16 06:57:59 | [
0.5,
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[
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[
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[
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[
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[
... | -0.000003 | 0.671642 | pbe | true | eea0e7ef64090ed8dcb1f8869b1c03ea_99_Dy2Ho2As4 |
[
"As",
"Er",
"Hf"
] | 12 | A6B5C | As6Er5Hf | Er5 Hf1 As6 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
0.1316805,
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]
] | agm006126541 | [
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[
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"As",
"As",
"As",
"As",
"As",
"As",
"Hf",
"Er",
"Er",
"Er",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.5,
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[
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[
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[
0.00423862,
0.004... | -0.000025 | 3.007475 | pbe | true | dbec7a4bd1426364ee5eab8228d85a0d_12_Er5Hf1As6 |
[
"As",
"Eu",
"S"
] | 12 | ABC | AsEuS | Eu4 As4 S4 | 3 | [
1,
1,
1
] | 3 | [
[
3.90869476,
0,
0
],
[
0,
4.09904404,
0
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[
0,
0,
18.13036086
]
] | agm005291539 | [
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[
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[
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[
2.93152107,
0.7715483... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Eu", "attached": ... | [
"Eu",
"Eu",
"Eu",
"Eu",
"As",
"As",
"As",
"As",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
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[
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[
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] | -91.733697 | [
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[
0,
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[
0,
0.0027651,
-0.... | 26.33657 | 23.878458 | pbe | true | d2669c965b84e1eeee2c3ced8f8a343e_62_Eu4As4S4 |
[
"As",
"Eu",
"Sm"
] | 6 | ABC | AsEuSm | Sm2 Eu2 As2 | 3 | [
1,
1,
1
] | 3 | [
[
4.37309425,
-0.0015991,
0.00155169
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[
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4.37375435,
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[
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]
] | agm002329883 | [
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[
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0.00... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Eu", "attached"... | [
"Eu",
"Eu",
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"As",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
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] | -44.625736 | [
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[
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[
0.00008202,
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] | 14.879725 | 6.680548 | pbe | true | 8ae683fe2831ee1b29261a04826e34bb_139_Sm2Eu2As2 |
[
"As",
"F",
"O"
] | 4 | A2BC | AsFO2 | As1 O2 F1 | 3 | [
1,
1,
1
] | 3 | [
[
4.34127106,
-0.96005666,
2.02937317
],
[
0.34515458,
2.85612919,
0.61835906
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[
1.00475715,
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5.85264855
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] | agm005787501 | [
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2.574136919406339,
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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": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "F", "attached": n... | [
"As",
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"O",
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] | 2023-11-16 06:57:59 | [
0.25,
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] | [
[
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[
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[
0.16087238,
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] | -21.086447 | [
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[
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[
0.00055334,
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0.00149938
]
] | 0 | -0.007516 | pbe | true | 1d34d465e92d8e1cead135d62629dc51_6_As1O2F1 |
[
"As",
"Fe",
"Hf"
] | 8 | A2BC | AsFeHf2 | Hf4 Fe2 As2 | 3 | [
1,
1,
1
] | 3 | [
[
5.85592627,
0,
0
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[
0,
5.85592627,
0
],
[
2.92796313,
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]
] | agm002829447 | [
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[
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[
... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached"... | [
"As",
"As",
"Hf",
"Hf",
"Hf",
"Hf",
"Fe",
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] | 2023-11-16 06:57:59 | [
0.25,
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0.5
] | [
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[
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[
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] | -62.021563 | [
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[
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[
0,
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[
0,
0,
0
]
] | 0 | 8.084966 | pbe | true | f9d95bc2412d2fb9a4a2066cd0da9144_122_Hf4Fe2As2 |
[
"As",
"Fe",
"Os"
] | 5 | A3BC | As3FeOs | Fe1 As3 Os1 | 3 | [
1,
1,
1
] | 3 | [
[
4.44869846,
0,
0
],
[
0,
4.44869846,
0
],
[
0,
0,
4.44869846
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] | agm002476179 | [
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[
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[
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[
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[
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] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Os", "attached"... | [
"As",
"As",
"As",
"Os",
"Fe"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
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[
0,
3.2255244,
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[
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] | -28.579552 | [
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] | [
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[
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 0.293349 | 3.63004 | pbe | true | 2e7d24023f6ec9962bf170a6785b55af_221_Fe1As3Os1 |
[
"As",
"Ga",
"Pb"
] | 10 | A2B2C | AsGa2Pb2 | Ga4 As2 Pb4 | 3 | [
1,
1,
1
] | 3 | [
[
6.92988615,
0,
0
],
[
0,
6.92988615,
0
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[
0,
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5.20034788
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] | agm002977610 | [
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[
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[
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[
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[
... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ga", "attached"... | [
"Pb",
"Pb",
"Pb",
"Pb",
"As",
"As",
"Ga",
"Ga",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.4
] | [
[
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0,
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[
0,
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[
0,
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]
] | -35.445935 | [
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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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[
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[
0,
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[
0.01328045,
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0
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[
0.01328045,
... | 0 | 5.948943 | pbe | true | 5ea6eb169efea2484b81b20fc608c7ac_127_Ga4As2Pb4 |
[
"As",
"H",
"Pt"
] | 6 | ABC | AsHPt | As2 H2 Pt2 | 3 | [
1,
1,
1
] | 3 | [
[
3.57200385,
0.05415997,
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[
-0.05327584,
3.53731764,
0.43965109
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[
-1.74357575,
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6.6050094
]
] | agm001008781 | [
[
0.8809776733343112,
0.5945285946862536,
2.5212498138281334
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[
0.8941745866656889,
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[
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[
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[
... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "As", "attached": ... | [
"H",
"H",
"As",
"As",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
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[
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[
-0.00613159,
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5.690983
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] | -28.407224 | [
0,
0,
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[
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[
0.00086798,
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[
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[
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[
0.00061105,
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[
-0.00061105,
-0.002... | 0.000002 | 0.813856 | pbe | true | a7816b79cf9054e539ee8e46b2129fa8_2_As2H2Pt2 |
[
"As",
"H",
"Zr"
] | 7 | A4B2C | As2HZr4 | Zr4 As2 H1 | 3 | [
1,
1,
1
] | 3 | [
[
4.05434972,
0,
0
],
[
0,
4.05434972,
0
],
[
-2.02717486,
-2.02717486,
7.45202376
]
] | agm001083138 | [
[
0,
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[
2.027174839728252,
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[
2.0271748556672654e-8,
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[
2.02717486,
2.02717486,
4.824054614514658
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[
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... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "As", "attached": ... | [
"H",
"As",
"As",
"Zr",
"Zr",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.14285714285714285,
0.5714285714285714
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0,
4.285132,
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[
0,
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]
] | -52.560254 | [
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[
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[
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[
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[
0,
0,
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[
0,
0,
0
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] | 0.000001 | 3.253933 | pbe | true | c324c103af0f7220050a2f31bd5e0108_139_Zr4As2H1 |
[
"As",
"Hf",
"S"
] | 5 | A3BC | AsHfS3 | Hf1 As1 S3 | 3 | [
1,
1,
1
] | 3 | [
[
4.62717461,
0,
0
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[
0,
4.62717461,
0
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[
0,
0,
4.62717461
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] | agm002580767 | [
[
0,
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[
2.313587305,
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[
0,
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[
0,
0,
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[
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "S", "attached":... | [
"As",
"Hf",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
5.2363915,
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0
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[
0,
5.2363915,
0
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[
0,
0,
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] | -25.621922 | [
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0,
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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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[
0,
0,
0
]
] | -0.000207 | 4.497763 | pbe | true | 00b4b63a5154d17bfdd2054c60e09f3e_221_Hf1As1S3 |
[
"As",
"In",
"Ni"
] | 12 | ABC | AsInNi | In4 Ni4 As4 | 3 | [
1,
1,
1
] | 3 | [
[
3.80186271,
0,
0
],
[
-1.90093135,
3.29250968,
0
],
[
0,
0,
18.16130921
]
] | agm002296068 | [
[
1.9009313756759805,
1.0975032156916344,
12.095505123936116
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[
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2.1950064643083658,
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[
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2.1950064643083658,
6.065804086063883
],
[
1.9009313756759805,
1.0975032156916344,
15.146458691063883... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "In", "attached"... | [
"Ni",
"Ni",
"Ni",
"Ni",
"As",
"As",
"As",
"As",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
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] | [
[
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[
0,
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0
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[
0,
0,
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]
] | -53.981519 | [
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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[
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[
0,
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[
0,
0,
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[
0,... | 0 | 7.657817 | pbe | true | 617ac50184d8e1480e4fdbb05bf14052_194_In4Ni4As4 |
[
"As",
"La",
"Pt"
] | 5 | A3BC | AsLaPt3 | La1 As1 Pt3 | 3 | [
1,
1,
1
] | 3 | [
[
3.8545716,
-1e-8,
-1.55319309
],
[
-0.62585678,
3.80342229,
-1.55319405
],
[
0.32840292,
0.38685692,
6.37455421
]
] | agm005806235 | [
[
0.029344786489137197,
0.0345726446546204,
0.07283070240965761
],
[
2.150288203874729,
2.5330366196756993,
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[
0.6963536201470988,
3.0906389375000662,
1.7281390406744186
],
[
2.936567810147099,
1.1889277875000663,
1.7281395206744188
... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "As", "attached"... | [
"La",
"As",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
3.5688677,
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-0.08041035
],
[
-0.03816884,
3.5563045,
-0.09472487
],
[
-0.08041035,
-0.09472487,
3.4017122
]
] | -32.180058 | [
0,
0,
0,
0,
0
] | [
[
-0.00104172,
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[
0.00152224,
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[
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[
0.00024988,
0.00029435,
0.00062012
],
[
-0.00098027,
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-0.00243275
]
] | 0.000003 | 3.212221 | pbe | true | 473f10003f4ee5fd774b38a77df9fe11_107_La1As1Pt3 |
[
"As",
"Mg",
"Te"
] | 4 | A2BC | As2MgTe | Mg1 Te1 As2 | 3 | [
1,
1,
1
] | 3 | [
[
4.999255,
0,
0
],
[
2.4996275,
4.32948183,
0
],
[
2.4996275,
1.44316061,
4.08187461
]
] | agm004420536 | [
[
0,
0,
0
],
[
7.4988825,
4.32948183,
3.0614059575
],
[
4.999255,
2.88632122,
2.040937305
],
[
2.4996275,
1.44316061,
1.0204686525
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Te", "attached"... | [
"As",
"As",
"Mg",
"Te"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-0.1077444,
0,
0
],
[
0,
-0.1077444,
0
],
[
0,
0,
-0.1077444
]
] | -13.360821 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 2.407379 | pbe | true | 4f4e0b226546b7b14a53ed54844eb6f7_216_Mg1Te1As2 |
[
"As",
"Mn",
"W"
] | 4 | A2BC | AsMnW2 | Mn1 As1 W2 | 3 | [
1,
1,
1
] | 3 | [
[
4.9900863,
-0.06339181,
-0.0594123
],
[
2.15169293,
4.50279871,
0.05941219
],
[
-3.18676382,
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2.58857859
]
] | agm003914194 | [
[
2.6871060475000004,
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1.2645831175
],
[
1.2679093625,
1.9424218650000002,
1.3239953625
],
[
7.124988978448061,
4.428969898772169,
-1.0974139110551109e-7
],
[
0.4009160465519379,
-0.6075179787721683,
2.588578534741391
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Mn", "attached": ... | [
"As",
"Mn",
"W",
"W"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
4.1546135,
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[
-0.22552031,
4.3772273,
0.01911922
],
[
-0.01188774,
0.01911922,
4.5311413
]
] | -38.667678 | [
-0.023,
1.824,
-0.147,
-0.147
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00229521,
-0.00142673,
0
],
[
0.00229521,
0.00142673,
0
]
] | 1.483128 | 2.575227 | pbe | true | 395035196e98093a9b258b65e8b5b4b3_71_Mn1As1W2 |
[
"As",
"Nb",
"Pt"
] | 9 | A6B2C | As2Nb6Pt | Nb6 As2 Pt1 | 3 | [
1,
1,
1
] | 3 | [
[
3.59935191,
0,
0
],
[
0,
7.15099041,
0
],
[
0,
-3.57549521,
6.19293936
]
] | agm002198325 | [
[
0,
1.4672380649748797,
2.541330880005984
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[
0,
0.6410190659466459,
6.19293936
],
[
0,
5.042733269078474,
3.6516084799940156
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[
1.799675955,
2.6375010406553194,
4.568285815826376
],
[
1.799675955,
-1.6995068886872438,
6.19293936
],
... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "As", "attached"... | [
"Nb",
"Nb",
"Nb",
"Nb",
"Nb",
"Nb",
"As",
"As",
"Pt"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.6666666666666666,
0.1111111111111111
] | [
[
9.815244,
0,
0
],
[
0,
5.51525,
0
],
[
0,
0,
5.51525
]
] | -79.073824 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.00370571,
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[
0,
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0
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[
0,
0.00370571,
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[
0,
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[
0,
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[
0,
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0.01478585
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[
0,
0,
0
],
[
0,
0,
... | 0 | 8.281625 | pbe | true | b920da8be095db7b5e1b346376e720f2_189_Nb6As2Pt1 |
[
"As",
"Ni",
"Pa"
] | 6 | ABC | AsNiPa | Pa2 Ni2 As2 | 3 | [
1,
1,
1
] | 3 | [
[
4.01998004,
0,
0
],
[
-2.00999002,
3.48140484,
0
],
[
0,
0,
7.81873656
]
] | agm002348190 | [
[
2.0099900400999005,
1.1604682683953171,
5.86405242
],
[
-2.0099900374160128e-8,
2.320936571604683,
1.95468414
],
[
-2.0099900374160128e-8,
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5.86405242
],
[
2.0099900400999005,
1.1604682683953171,
1.95468414
],
[
0,
0,
3.... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ni", "attached"... | [
"Ni",
"Ni",
"As",
"As",
"Pa",
"Pa"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
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0,
0
],
[
0,
-2.5755877,
0
],
[
0,
0,
-2.6017363
]
] | -44.940784 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
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[
0,
0,
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],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000039 | 3.471752 | pbe | true | 72246e6d644b351678ec305c3bddf619_194_Pa2Ni2As2 |
[
"As",
"O",
"P"
] | 8 | A2BC | AsOP2 | As2 P4 O2 | 3 | [
1,
1,
1
] | 3 | [
[
4.44276888,
0,
0
],
[
0,
4.44276888,
0
],
[
2.22138444,
2.22138444,
6.53634048
]
] | agm002872305 | [
[
2.808687697547662,
1.11069222,
1.63408512
],
[
1.6340811824523382,
3.33207666,
1.63408512
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[
3.3320766600000002,
3.8554656224523383,
4.90225536
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[
5.5534611,
5.030072137547662,
4.90225536
],
[
0,
0,
0
],
[
4.44276888,
2.22... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "P", "attached": n... | [
"P",
"P",
"P",
"P",
"As",
"As",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
-2.3539147,
0,
0
],
[
0,
-2.3539147,
0
],
[
0,
0,
0.14843991
]
] | -39.299907 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.01455312,
0,
0
],
[
-0.01455312,
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0
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[
0,
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[
0,
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[
0,
0,
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],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.714556 | pbe | true | d295b3fa69d21fee516f71054666db7e_122_As2P4O2 |
[
"As",
"O",
"Sc"
] | 5 | A3BC | AsOSc3 | Sc3 As1 O1 | 3 | [
1,
1,
1
] | 3 | [
[
4.9909224,
0,
0
],
[
0,
4.9909224,
0
],
[
0,
0,
4.9909224
]
] | agm002563377 | [
[
0,
2.4954612,
0
],
[
0,
0,
2.4954612
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[
2.4954612,
0,
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],
[
0,
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[
2.4954612,
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2.4954612
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Sc", "attached": ... | [
"Sc",
"Sc",
"Sc",
"As",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
0.23735714,
0,
0
],
[
0,
0.23735714,
0
],
[
0,
0,
0.23735714
]
] | -28.536407 | [
-0.007,
-0.013,
-0.003,
0,
0.001
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.031196 | 10.105854 | pbe | true | 4efcaee2f588aa7a1bb7b2ac1e8adda3_221_Sc3As1O1 |
[
"As",
"Os",
"Sr"
] | 5 | A3BC | AsOs3Sr | Sr1 As1 Os3 | 3 | [
1,
1,
1
] | 3 | [
[
4.83319402,
0,
0
],
[
0,
4.83319402,
0
],
[
0,
0,
4.83319402
]
] | agm002402327 | [
[
0,
0,
0
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[
2.41659701,
2.41659701,
2.41659701
],
[
0,
2.41659701,
0
],
[
0,
0,
2.41659701
],
[
2.41659701,
0,
0
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"As",
"Os",
"Os",
"Os"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
4.5109696,
0,
0
],
[
0,
4.5109696,
0
],
[
0,
0,
4.5109696
]
] | -21.708963 | [
0,
0,
0.001,
0.002,
-0.001
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000624 | 8.995622 | pbe | true | 435e4fd8309ec7494b5b11db8e25e094_221_Sr1As1Os3 |
[
"As",
"Pb",
"Te"
] | 4 | A2BC | AsPbTe2 | Te2 As1 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
6.91544165,
0.0120835,
-0.03594529
],
[
5.48703291,
4.20903184,
-0.03594529
],
[
-1.39081266,
-0.47335559,
4.18364342
]
] | agm003883070 | [
[
8.258746425000002,
2.8108198124999997,
3.08381463
],
[
2.752915475,
0.9369399374999999,
1.02793821
],
[
0.13255075959212542,
0.0451129362800221,
0.0491925491917982
],
[
5.373280190407874,
1.8287669387199779,
2.0066838708082018
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Te", "attached"... | [
"Pb",
"As",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.4193876,
-0.00634696,
-0.05304473
],
[
-0.00634696,
1.435876,
-0.01805349
],
[
-0.05304465,
-0.01805346,
1.3437526
]
] | -14.532744 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
-0.00028188,
-0.00009593,
0.00006739
],
[
0.00028188,
0.00009593,
-0.00006739
]
] | 0.000004 | 2.583567 | pbe | true | fcf86e31aa03eae35fe6995e984c243c_139_Te2As1Pb1 |
[
"As",
"Pu",
"Rh"
] | 8 | A2BC | As2PuRh | Pu2 As4 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
3.99591115,
0,
0
],
[
0,
3.99591115,
0
],
[
0,
0,
9.72235515
]
] | agm002330032 | [
[
0.9989777875,
0.9989777875,
1.5334185071540836
],
[
2.9969333625,
2.9969333625,
8.188936642845917
],
[
2.9969333625,
0.9989777875,
4.861177575
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[
0.9989777875,
2.9969333625,
4.861177575
],
[
0.9989777875,
2.9969333625,
0
],
[
2.... | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pu", "attached"... | [
"As",
"As",
"As",
"As",
"Rh",
"Rh",
"Pu",
"Pu"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
4.1811852,
0,
0
],
[
0,
4.1811852,
0
],
[
0,
0,
4.1964836
]
] | -68.088253 | [
-0.004,
-0.004,
-0.048,
-0.048,
0.055,
0.055,
5.086,
5.086
] | [
[
0,
0,
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[
0,
0,
0.00658803
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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
],
[
0,
0,
0.00094329
],
[
0,
0,
-0.00094329
]
] | 10.573543 | 16.699574 | pbe | true | 0fc97dec2178ac96753d2bedd7027890_129_Pu2As4Rh2 |
[
"As",
"Pu",
"Tb"
] | 8 | A4B3C | As4Pu3Tb | Tb1 Pu3 As4 | 3 | [
1,
1,
1
] | 3 | [
[
4.13673346,
0,
0
],
[
0,
7.15250076,
-0.07051081
],
[
0,
-2.32193184,
6.76549122
]
] | agm003560593 | [
[
2.06836673,
0,
0
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[
0,
-1.16096592,
3.38274561
],
[
2.06836673,
2.4152844599999996,
3.347490205
],
[
0,
3.57625038,
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],
[
0,
1.2166008582019645,
1.6861614123189739
],
[
2.06836673,
4.784857486215984,
1.637793... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Pu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pu"]}, {"mass": null, "name": "As", "attached"... | [
"Tb",
"Pu",
"Pu",
"Pu",
"As",
"As",
"As",
"As"
] | 2023-11-16 06:57:59 | [
0.5,
0.375,
0.125
] | [
[
2.8503678,
0,
0
],
[
0,
2.9412813,
-0.07940571
],
[
0,
-0.07940571,
2.888521
]
] | -75.119837 | [
0.03,
5.003,
-5.032,
5.003,
0.001,
-0.081,
0.001,
-0.081
] | [
[
0,
0,
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[
0,
0,
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[
0,
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0
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[
0,
0,
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[
0,
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],
[
0,
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0.00108568
],
[
0,
0.00076563,
0.00106114
],
[
0,
0.00150471,
-0.00108568
]
] | 5.049117 | 35.518505 | pbe | true | 1ed6e697cfb2fece52ff6405fd8fae2f_65_Tb1Pu3As4 |
[
"Au",
"Be",
"P"
] | 12 | ABC | AuBeP | Be4 P4 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
7.40915878,
0,
0
],
[
0,
4.54534748,
0
],
[
0,
0,
6.67614972
]
] | agm003045994 | [
[
2.024313839447521,
1.13633687,
2.678301092607637
],
[
1.6802655505524795,
3.40901061,
6.016375952607637
],
[
5.38484494055248,
3.40901061,
3.9978486273923624
],
[
5.728893229447521,
1.13633687,
0.6597737673923628
],
[
5.148386231767223,
1.136... | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "P", "attached":... | [
"P",
"P",
"P",
"P",
"Au",
"Au",
"Au",
"Au",
"Be",
"Be",
"Be",
"Be"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
-0.08540636,
0,
0
],
[
0,
-0.5120543,
0
],
[
0,
0,
0.8209074
]
] | -49.464355 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.04578421,
0,
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[
-0.04578421,
0,
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[
-0.04578421,
0,
0.01776416
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[
0.04578421,
0,
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[
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0,
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],
[
0.00961193,
0,
-0.02770443
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[
0.00961193,
0,
... | 0 | 0.929999 | pbe | true | f9cbbd285f1d209825d3129192057dc3_62_Be4P4Au4 |
[
"As",
"Se",
"Y"
] | 3 | ABC | AsSeY | Y1 As1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
5.7924863,
0.00023798,
-0.0002588
],
[
4.5087935,
3.63710031,
0.00059997
],
[
1.28370018,
0.45355481,
3.60846739
]
] | agm004400786 | [
[
4.38550355350803,
1.5486527875263716,
2.367336616974411
],
[
9.86482385146354,
3.4832436000076754,
0.17497848472207148
],
[
7.63593246520423,
2.696335034303788,
1.0668345922222555
]
] | [{"mass": null, "name": "As", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["As"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"As",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.3597475,
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0.03174763
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[
-0.02800951,
1.2324086,
-0.16243713
],
[
0.03174763,
-0.16243713,
1.273161
]
] | -17.640553 | [
0,
0,
0
] | [
[
0.00250345,
0.00088388,
-0.00100168
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[
0.00188773,
0.00066649,
-0.00075532
],
[
-0.00439118,
-0.00155037,
0.001757
]
] | 0 | 0.855771 | pbe | true | 1efc263ce90b8b5f2b56d69a99af1dbc_107_Y1As1Se1 |
[
"Au",
"B",
"Fe"
] | 12 | ABC | AuBFe | Fe4 B4 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
5.46918574,
-0.07102072,
0.00067579
],
[
-1.5075744,
5.25778675,
0.00071119
],
[
-1.98091914,
-2.59354478,
4.95869672
]
] | agm002256038 | [
[
-2.0457534206248784,
3.489971816553741,
2.6157652221309577
],
[
3.1514076652701015,
1.5736868441821783,
0.1363829198356742
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[
0.41696380267059735,
1.6089624258987123,
2.344308584563154
],
[
-1.2921711072046653,
0.8611297348079066,
4.8236490391253675
... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Au", "attached": ... | [
"B",
"B",
"B",
"B",
"Au",
"Au",
"Au",
"Au",
"Fe",
"Fe",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
5.131756,
0.1136949,
0.00121412
],
[
0.11369443,
5.2065597,
0.00034158
],
[
0.00121231,
0.00034156,
5.4825244
]
] | -71.723412 | [
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-0.083,
-0.004,
-0.004,
-0.004,
-0.004,
0.966,
0.965,
0.967,
0.967
] | [
[
0.00339391,
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[
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[
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[
0.00303041,
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[
0.00187617,
-0.00180012,
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],
[
0.00109686,
-0.0012261... | 3.455401 | 9.890992 | pbe | true | 3b19baf393279cdced691bb8faf122e7_43_Fe4B4Au4 |
[
"Au",
"B",
"Rh"
] | 4 | A2BC | AuBRh2 | B1 Rh2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
2.87638348,
0,
0
],
[
1.43819174,
2.49102117,
0
],
[
1.43819174,
0.83034039,
7.50750276
]
] | agm001942246 | [
[
4.314573767426342,
2.491020331356206,
6.171772298367428
],
[
1.4381931925736575,
0.8303412286437939,
1.3357304616325716
],
[
0,
0,
0
],
[
2.87638348,
1.6606807799999999,
3.75375138
]
] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Au", "attached": ... | [
"Rh",
"Rh",
"B",
"Au"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
6.7152743,
0,
0
],
[
0,
6.7152743,
0
],
[
0,
0,
6.8106027
]
] | -25.270621 | [
0,
0,
0,
0
] | [
[
0,
0,
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],
[
0,
0,
0.00239778
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.481747 | pbe | true | 0bba1f84e710e085a34f01465e8c9c48_166_B1Rh2Au1 |
[
"Au",
"B",
"Tl"
] | 8 | A2BC | Au2BTl | Tl2 B2 Au4 | 3 | [
1,
1,
1
] | 3 | [
[
6.83935324,
0,
0
],
[
0,
6.83935324,
0
],
[
3.41967662,
3.41967662,
3.66910073
]
] | agm002796331 | [
[
0,
0,
0
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[
6.83935324,
3.41967662,
1.834550365
],
[
3.41967662,
3.41967662,
0
],
[
3.41967662,
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1.834550365
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[
4.281085226928242,
1.70983831,
0.9172751825
],
[
2.5582680130717583,
5.12951493,
0.9172751825
... | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Au", "attached": ... | [
"Tl",
"Tl",
"B",
"B",
"Au",
"Au",
"Au",
"Au"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.7094259,
0,
0
],
[
0,
0.7094259,
0
],
[
0,
0,
-0.13104206
]
] | -28.241199 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
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[
0,
0,
0
],
[
0,
0,
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[
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[
0.00350441,
0,
0
],
[
0,
0.00350441,
0
],
[
0,
-0.00350441,
0
]
] | 0 | 1.90931 | pbe | true | 9eb0d0da30dab6d0d2dcf0692b469335_122_Tl2B2Au4 |
[
"Au",
"Ba",
"N"
] | 14 | A3B3C | AuBa3N3 | Ba6 Au2 N6 | 3 | [
1,
1,
1
] | 3 | [
[
5.67126525,
1e-8,
0
],
[
0.00000159,
13.56921929,
0
],
[
0,
0,
18.76890488
]
] | agm2000099099 | [
[
0.2985374679457131,
12.784587190921531,
11.268904732087105
],
[
5.3727299264600425,
5.999977826253115,
7.499999960223848
],
[
5.372730039885315,
5.99997755486873,
11.268904732087105
],
[
0.29853763808370243,
12.784587462305918,
7.499999960223848
],
[... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Au", "attached": ... | [
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Au",
"Au",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
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... | 2.6055 | 7.987749 | pbe | true | 9749e9831b92343d419793a8eafa64ff_26_Ba6Au2N6 |
[
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1,
1,
1
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... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "P", "attached":... | [
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] | -0.000003 | 3.191583 | pbe | true | ad64d2503edd95dc00253cbfcd2e3820_122_Ba2P4Au2 |
[
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1,
1,
1
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0.0000... | 0 | 12.095123 | pbe | true | 1f2965c2b4ed8f9262e225775dbb3fb5_10_Ba6Zn5Au1 |
[
"Au",
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] | 4 | A2BC | Au2BeRu | Be1 Ru1 Au2 | 3 | [
1,
1,
1
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[
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[
0,
2.81536065,
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] | 0.681436 | 3.668339 | pbe | true | 8caca1940127e7340bc7bc3d2e840a23_10_Be1Ru1Au2 |
[
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1,
1,
1
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[
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4.41136972,
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] | -0.000052 | 6.272158 | pbe | true | 1defcfa442761a7284b20c4ba890c9c7_221_Ti1Be1Au3 |
[
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1,
1,
1
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0,
0
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[
0,
4.12772663,
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... | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Bi", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Bi"]}, {"mass": null, "name": "Au", "attached"... | [
"Cd",
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[
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] | -0.000001 | 1.913605 | pbe | true | 37093cc693f1e417a0b027032bd61218_123_Cd1Bi1Au5 |
[
"Au",
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1,
1,
1
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[
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0,
3.56734851
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[
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[
2.72... | [{"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": "Au", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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[
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[
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-0.0025921... | 0 | 6.730051 | pbe | true | 21cef14861b60bdaa94f4a63b75d09b4_36_In6Bi2Au12 |
[
"Au",
"Ca",
"Cu"
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1,
1,
1
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[
4.12205835,
0,
1.62074135
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[
1.74501701,
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0.10947078,
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[
... | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Au", "attached"... | [
"Ca",
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"Cu",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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] | -21.625547 | [
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[
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0.0023... | 0.000002 | 1.484493 | pbe | true | a247fab0aaeddbf4c278e6be2c32d044_12_Ca2Cu2Au2 |
[
"Au",
"Ca",
"Y"
] | 12 | A6B5C | Au6CaY5 | Ca1 Y5 Au6 | 3 | [
1,
1,
1
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[
1.629600360191... | [{"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Au", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Au"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
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"Y",
"Y",
"Y",
"Ca",
"Au",
"Au",
"Au",
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] | 2023-11-16 06:57:59 | [
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[
-0.0... | 0 | 6.188819 | pbe | true | b57475fdd5f030507a3b1930fd34847b_65_Ca1Y5Au6 |
[
"Au",
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"Co"
] | 4 | A2BC | AuCdCo2 | Cd1 Co2 Au1 | 3 | [
1,
1,
1
] | 3 | [
[
6.21121443,
0.00112039,
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[
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[
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] | [{"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Au", "attached"... | [
"Au",
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] | 2023-11-16 06:57:59 | [
0.25,
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0.5
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[
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[
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] | -17.087136 | [
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[
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[
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] | 3.15518 | 6.542979 | pbe | true | fde5c3b4277fc01f1c30bca0f479ed6c_65_Cd1Co2Au1 |