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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Ga",
"I",
"Os",
"Te"
] | 5 | A2BCD | GaIOsTe2 | Ga1 Te2 Os1 I1 | 4 | [
1,
1,
1
] | 3 | [
[
5.38473751,
0,
0
],
[
0,
5.38473751,
0
],
[
0,
0,
5.36024402
]
] | agm001799027 | [
[
0,
0,
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[
0,
2.692368755,
0
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[
2.692368755,
0,
0
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[
2.692368755,
2.692368755,
2.68012201
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[
0,
0,
0
]
] | [{"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "I", "attached":... | [
"I",
"Te",
"Te",
"Os",
"Ga"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
1.0806637,
0,
0
],
[
0,
1.0806637,
0
],
[
0,
0,
1.2704322
]
] | -14.819869 | [
0.089,
0.077,
0.077,
3.247,
-0.008
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.105376 | 5.932966 | pbe | true | b2ebfc01713b2c14d6c50a1a3f547769_123_Ga1Te2Os1I1 |
[
"Ga",
"Ir",
"Nb",
"Tc"
] | 4 | ABCD | GaIrNbTc | Nb1 Ga1 Tc1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.42927052,
0,
0
],
[
2.21463526,
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0
],
[
2.21463526,
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3.61648423
]
] | agm001361702 | [
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[
0,
0,
0
],
[
2.21463526,
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] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ir", "attached"... | [
"Nb",
"Ir",
"Tc",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.2978969,
0,
0
],
[
0,
3.2978969,
0
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[
0,
0,
3.2978969
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] | -34.092205 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 0.571539 | pbe | true | 5ca1ac9f8f26ecf8563681afd4a9e84e_216_Nb1Ga1Tc1Ir1 |
[
"Ga",
"Ir",
"Ni",
"Ta"
] | 4 | ABCD | GaIrNiTa | Ta1 Ga1 Ni1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.36370475,
0,
0
],
[
2.18185238,
3.77907917,
0
],
[
2.18185238,
1.25969306,
3.56295001
]
] | agm001355516 | [
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2.1818523775000003,
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[
6.5455571325,
3.7790791725000004,
2.6722125075
],
[
4.3637047550000005,
2.519386115,
1.781475005
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[
0,
0,
0
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ni",
"Ir",
"Ga",
"Ta"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-2.9011352,
0,
0
],
[
0,
-2.9011352,
0
],
[
0,
0,
-2.9011352
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] | -31.147288 | [
0.051,
0.019,
0.004,
0.015
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.093772 | 4.98538 | pbe | true | b0ee1e30fcce18f418dac5e60c44205c_216_Ta1Ga1Ni1Ir1 |
[
"Ga",
"Ir",
"Pd",
"Re"
] | 5 | A2BCD | GaIr2PdRe | Ga1 Re1 Ir2 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.79987964,
0,
0
],
[
0,
4.79987964,
0
],
[
0,
0,
4.37860788
]
] | agm001420457 | [
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0,
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[
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0
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[
0,
0,
2.18930394
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[
0,
0,
0
]
] | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Pd", "attached"... | [
"Re",
"Ir",
"Ir",
"Ga",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
4.124464,
0,
0
],
[
0,
4.124464,
0
],
[
0,
0,
3.8560586
]
] | -28.518713 | [
2.579,
0.725,
0.725,
-0.015,
0.247
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.678165 | 6.407536 | pbe | true | cc26b25a6d391b818bf15e35f53317f6_123_Ga1Re1Ir2Pd1 |
[
"Ga",
"Li",
"Pd",
"Sr"
] | 5 | A2BCD | Ga2LiPdSr | Sr1 Li1 Ga2 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.86466826,
0,
0
],
[
0,
4.86466826,
0
],
[
0,
0,
4.8843867
]
] | agm001629294 | [
[
2.43233413,
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2.44219335
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[
0,
2.43233413,
0
],
[
2.43233413,
0,
0
],
[
0,
0,
0
],
[
0,
0,
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]
] | [{"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Ga",
"Ga",
"Pd",
"Li"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
2.7622259,
0,
0
],
[
0,
2.7622259,
0
],
[
0,
0,
3.0101686
]
] | -16.861561 | [
0,
0,
0,
0,
0
] | [
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0,
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[
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.235496 | pbe | true | cf1ad63440e298592df915b74db3b06f_123_Sr1Li1Ga2Pd1 |
[
"Ga",
"Li",
"Sr",
"Zn"
] | 12 | A2B2CD | Ga2LiSr2Zn | Sr4 Li2 Zn2 Ga4 | 4 | [
1,
1,
1
] | 3 | [
[
6.54146982,
0,
0
],
[
0,
6.54120238,
0
],
[
-3.27073491,
-3.27060119,
7.22596715
]
] | agm004755662 | [
[
1.6172529148965031,
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[
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4.860090917180006
],
[
4.9242169051034965,
3.2705978866927974,
2.3658762328... | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Sr",
"Sr",
"Sr",
"Li",
"Li",
"Zn",
"Zn",
"Ga",
"Ga",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.16666666666666666,
0.3333333333333333,
0.16666666666666666
] | [
[
1.5324717,
0,
0
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[
0,
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],
[
0,
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]
] | -29.126285 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00223598,
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[
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[
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[
0.00076482,
0,
0
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[
-0.00076482,
0,
0
],
[
0.0... | 0.00001 | 8.254503 | pbe | true | a4a41390d02ac9e8a225222e6ef78c19_72_Sr4Li2Zn2Ga4 |
[
"Ga",
"Mn",
"Na",
"O"
] | 15 | A8B3C3D | Ga3MnNa3O8 | Na3 Mn1 Ga3 O8 | 4 | [
1,
1,
1
] | 3 | [
[
5.96504475,
0.00078409,
0.00028402
],
[
-2.98184412,
5.16793388,
-0.01850901
],
[
-0.00018852,
-3.42713095,
5.50721354
]
] | agm004682629 | [
[
0,
0,
0
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[
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[
1.491600315,
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[
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[
2.982428115,
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2.75374878
],
[
1.4915060549999999,
0.870793509999... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Na", "attached": ... | [
"Na",
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"Mn",
"Ga",
"Ga",
"Ga",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.06666666666666667,
0.2,
0.5333333333333333
] | [
[
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[
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0.01066572
],
[
-0.00301534,
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] | -86.497536 | [
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0.016,
0.016,
0.016,
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[
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[
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[
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0.00006332,
0.00530359
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[
-0.00067177,
-0.00006332,
-0.00530359
],
... | 2.878799 | 0 | pbe | true | 31bfbeface68fe68973dee5ee298f07c_166_Na3Mn1Ga3O8 |
[
"Ga",
"Mn",
"Pd",
"Pr"
] | 10 | A4B3C2D | Ga3MnPd4Pr2 | Pr2 Mn1 Ga3 Pd4 | 4 | [
1,
1,
1
] | 3 | [
[
4.2892378,
0,
0
],
[
0,
4.2892378,
0
],
[
0,
0,
10.64899508
]
] | agm004533907 | [
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0,
2.1446189,
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[
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[
0,
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[
2.14... | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Pd", "attached"... | [
"Pr",
"Pr",
"Mn",
"Ga",
"Ga",
"Ga",
"Pd",
"Pd",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.3,
0.1,
0.4,
0.2
] | [
[
5.2854877,
0,
0
],
[
0,
5.2854877,
0
],
[
0,
0,
5.400576
]
] | -55.400783 | [
-0.038,
-0.038,
3.754,
-0.072,
-0.01,
-0.01,
-0.022,
-0.009,
0.073,
0.073
] | [
[
0,
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
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0
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[
0,
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[
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0.00310202
],
[
0,... | 3.745656 | 7.244917 | pbe | true | 5ebf0bd18e99878bebfbc150c7cac8d1_115_Pr2Mn1Ga3Pd4 |
[
"Ga",
"Mn",
"Si",
"Tb"
] | 9 | A3B3C2D | Ga2Mn3SiTb3 | Tb3 Mn3 Ga2 Si1 | 4 | [
1,
1,
1
] | 3 | [
[
3.54772352,
-6.14483738,
0
],
[
3.54772352,
6.14483738,
0
],
[
0,
0,
4.00166867
]
] | agm005503399 | [
[
2.1005677874153985,
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[
2.894311465169203,
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2.000834335
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[
2.1005677874153985,
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[
5.520840759048806,
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0
],
[
0.7873031404755968,
-1... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Si", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Si"]}, {"mass": null, "name": "Mn", "attached"... | [
"Tb",
"Tb",
"Tb",
"Mn",
"Mn",
"Mn",
"Ga",
"Ga",
"Si"
] | 2023-11-16 06:57:59 | [
0.2222222222222222,
0.3333333333333333,
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0.3333333333333333
] | [
[
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0,
0
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[
0,
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0
],
[
0,
0,
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]
] | -55.823704 | [
-0.177,
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2.933,
2.933,
2.933,
-0.09,
-0.09,
-0.098
] | [
[
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0
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[
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0,
0
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[
0.0001206,
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0.00354187,
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[
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0
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[
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0
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[
0,
0,
0
],
[
0,
0,
0... | 8.199913 | 11.482055 | pbe | true | 724a356f9be71b5e90d778c1e8b8e7cf_189_Tb3Mn3Ga2Si1 |
[
"Ga",
"Mn",
"Sm",
"Y"
] | 4 | ABCD | GaMnSmY | Sm1 Y1 Mn1 Ga1 | 4 | [
1,
1,
1
] | 3 | [
[
5.104893,
0,
0
],
[
2.5524465,
4.42096702,
0
],
[
2.5524465,
1.47365567,
4.16812768
]
] | agm001913695 | [
[
2.5524465,
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[
0,
0,
0
],
[
5.104893,
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],
[
7.657339499999999,
4.420967017500001,
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]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Sm", "attached"... | [
"Y",
"Mn",
"Ga",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.1426756,
0,
0
],
[
0,
2.1426756,
0
],
[
0,
0,
2.1426756
]
] | -23.971237 | [
-0.19,
3.608,
0.011,
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] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.322585 | 4.813031 | pbe | true | 83c3d730467c44544e6244a3ef00c6a4_216_Sm1Y1Mn1Ga1 |
[
"Ga",
"N",
"O",
"Tl"
] | 5 | A2BCD | GaN2OTl | Tl1 Ga1 N2 O1 | 4 | [
1,
1,
1
] | 3 | [
[
4.51322379,
0,
0
],
[
0,
4.51322379,
0
],
[
0,
0,
4.37731088
]
] | agm001726386 | [
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[
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[
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[
0,
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],
[
2.256611895,
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "N", "attached": n... | [
"Tl",
"O",
"Ga",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
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0.2,
0.2
] | [
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[
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[
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] | -19.130631 | [
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0,
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[
0,
0,
0
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[
0,
0,
0
]
] | 3.871048 | 2.295846 | pbe | true | b64abee5b3cfe6666508533b48d0540f_123_Tl1Ga1N2O1 |
[
"Ga",
"N",
"O",
"V"
] | 5 | A2BCD | GaNO2V | V1 Ga1 N1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
3.68605923,
0,
0
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[
0,
3.68605923,
0
],
[
0,
0,
4.1337978
]
] | agm001751693 | [
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[
1.843029615,
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0
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[
1.843029615,
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],
[
0,
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] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "V", "attached": n... | [
"N",
"O",
"O",
"Ga",
"V"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
1.19651,
0,
0
],
[
0,
1.19651,
0
],
[
0,
0,
1.5307754
]
] | -31.729785 | [
0.055,
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0.035,
0,
-0.232
] | [
[
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.094796 | 0.633743 | pbe | true | 5ace155d02847878a014e9ddda9678cb_123_V1Ga1N1O2 |
[
"Ga",
"N",
"Pd",
"Sb"
] | 5 | A2BCD | GaNPdSb2 | Ga1 Sb2 Pd1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.89707995,
0,
0
],
[
0,
3.92865559,
0
],
[
0,
0,
4.89707995
]
] | agm001546788 | [
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[
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[
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[
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] | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Pd", "attached": ... | [
"Sb",
"Sb",
"Ga",
"Pd",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.8090363,
0,
0
],
[
0,
-6.018698,
0
],
[
0,
0,
0.8090363
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] | -22.992489 | [
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0,
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[
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.352228 | pbe | true | 39209d57b57a77c0c3c1ce3ecac32d82_123_Ga1Sb2Pd1N1 |
[
"Ga",
"Np",
"Pa",
"Ru"
] | 4 | ABCD | GaNpPaRu | Np1 Pa1 Ga1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.76231638,
0,
0
],
[
2.38115819,
4.12428696,
0
],
[
2.38115819,
1.37476232,
3.88841504
]
] | agm001310752 | [
[
0,
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0
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[
4.76231638,
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[
7.1434745699999995,
4.12428696,
2.91631128
],
[
2.38115819,
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0.97210376
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] | [{"mass": null, "name": "Pa", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pa"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Np", "attached"... | [
"Np",
"Ru",
"Pa",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.8389301,
0,
0
],
[
0,
2.8389301,
0
],
[
0,
0,
2.8389301
]
] | -35.418559 | [
3.911,
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1.066,
-0.004
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 5.00584 | 4.331936 | pbe | true | 48116695409580e1a3c6545e77513c19_216_Np1Pa1Ga1Ru1 |
[
"Ga",
"Ni",
"Th",
"Zn"
] | 18 | A12B3C2D | Ga3Ni12Th2Zn | Th2 Zn1 Ga3 Ni12 | 4 | [
1,
1,
1
] | 3 | [
[
6.19388801,
-1.31589159,
-0.93334923
],
[
1.91463842,
6.03572524,
-0.93334923
],
[
1.91463842,
1.11447806,
6.00491953
]
] | agm004501639 | [
[
6.559220820535475,
3.8180095223841333,
2.7080773596497907
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[
3.4639440294645243,
2.016302187615866,
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[
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[
0.95... | [{"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Zn", "attached"... | [
"Th",
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"Ga",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.6666666666666666,
0.1111111111111111,
0.05555555555555555
] | [
[
-7.2325764,
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0.11563539
],
[
0.1630297,
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0.06730937
],
[
0.11563539,
0.06730937,
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]
] | -97.854294 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
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[
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[
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[
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[
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[
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0
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[
0.01213972,
0.00706632,
0.0068426
],
[
0.005573,
0.00324395,
... | 0 | 13.309052 | pbe | true | 727c793f782463f0a540a79a0e216875_166_Th2Zn1Ga3Ni12 |
[
"Ga",
"O",
"Os",
"Sr"
] | 9 | A6BCD | GaO6OsSr | Sr1 Ga1 Os1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.22775215,
-0.00002943,
-0.00006223
],
[
2.61388914,
4.52733835,
0.00008021
],
[
0.00007889,
-0.0001277,
5.36281814
]
] | agm005079290 | [
[
5.227714199214037,
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5.3627145647687815
],
[
5.227661742340794,
3.018161582008992,
2.68134324430393
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[
2.613852278584434,
1.5090779107776184,
2.6813000326425485
],
[
1.05432721957447,
1.7021407390427004,
1.6025530039535838
],
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Sr",
"Ga",
"Os",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.6666666666666666,
0.1111111111111111,
0.1111111111111111
] | [
[
1.0392988,
0.03345948,
0.00479804
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[
0.03345945,
1.0266863,
-0.02598006
],
[
0.00479806,
-0.02598024,
0.81156904
]
] | -60.745124 | [
0.004,
0.02,
0.397,
0.024,
0.024,
0.024,
0.024,
0.024,
0.024
] | [
[
0.00002238,
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[
0.00089728,
0.00021803,
0.00122324
],
[
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0.00359754
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[
-0.00164124,
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0.00190284
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[
-0.00141658,
-0.0003344,
-0.00299519
],
[
0.00156451,
-0.001... | 0.623812 | 3.61739 | pbe | true | bc0201c6f1b62a96549913e2088d40ce_149_Sr1Ga1Os1O6 |
[
"Ga",
"O",
"Sb",
"Se"
] | 5 | A2BCD | GaO2SbSe | Ga1 Sb1 Se1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
3.97164167,
0,
0
],
[
0,
4.98752413,
0
],
[
0,
0,
3.97164167
]
] | agm001554677 | [
[
0,
0,
1.985820835
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[
1.985820835,
0,
0
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[
1.985820835,
2.493762065,
1.985820835
],
[
0,
0,
0
],
[
0,
2.493762065,
0
]
] | [{"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": "Sb", "attached": ... | [
"O",
"O",
"Sb",
"Ga",
"Se"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
1.1805639,
0,
0
],
[
0,
-1.9785951,
0
],
[
0,
0,
1.1805639
]
] | -22.947143 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0.878078 | pbe | true | 7428e5f4e420e4291f9c6eaff88ef2e8_123_Ga1Sb1Se1O2 |
[
"Ga",
"Ru",
"Si",
"Zr"
] | 20 | A5B2C2D | Ga2Ru5SiZr2 | Zr4 Ga4 Si2 Ru10 | 4 | [
1,
1,
1
] | 3 | [
[
3.22418111,
0,
0
],
[
0,
9.83519632,
0
],
[
0,
0,
9.83519632
]
] | agm005132591 | [
[
0,
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[
0,
3.248148037116142,
8.165746197116142
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[
0,
1.6694501228838576,
3.248148037116142
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[
0,
8.165746197116142,
6.587048282883857
],
[
0,
1.307647870162104,
6.225246030162104
],
[
0,
... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Si", "attached"... | [
"Zr",
"Zr",
"Zr",
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"Ga",
"Ga",
"Ga",
"Ga",
"Si",
"Si",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.2,
0.5,
0.1,
0.2
] | [
[
4.2347293,
0,
0
],
[
0,
4.141221,
0
],
[
0,
0,
4.141221
]
] | -158.763911 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
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0
] | [
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0,
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[
0,
0.00078424,
0.00078424
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[
0,
-0.00078424,
0.00078424
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[
0,
0.00078424,
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[
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[
0,
-0.00144709,
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],
[
0,
0.00144709,
... | -0.000004 | 15.22211 | pbe | true | 7f76f7489df3b7b4e6935d499f943f9d_127_Zr4Ga4Si2Ru10 |
[
"Ga",
"Sm",
"Sn",
"Sr"
] | 4 | ABCD | GaSmSnSr | Sr1 Sm1 Ga1 Sn1 | 4 | [
1,
1,
1
] | 3 | [
[
5.4589267,
0,
0
],
[
2.72946335,
4.7275692,
0
],
[
2.72946335,
1.5758564,
4.45719498
]
] | agm001334123 | [
[
5.4589267,
3.1517128,
2.22859749
],
[
8.18839005,
4.7275692,
3.3428962349999995
],
[
2.72946335,
1.5758564,
1.114298745
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Sm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sm"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Ga",
"Sn",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.5158751,
0,
0
],
[
0,
1.5158751,
0
],
[
0,
0,
1.5158751
]
] | -15.313134 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 2.660916 | pbe | true | 7f01b1f7dd942ea18ac6b5d1abd36c59_216_Sr1Sm1Ga1Sn1 |
[
"Gd",
"Ge",
"Pr",
"Rh"
] | 4 | ABCD | GdGePrRh | Pr1 Gd1 Ge1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
5.08811311,
0,
0
],
[
2.54405656,
4.40643521,
0
],
[
2.54405656,
1.46881174,
4.15442696
]
] | agm001289922 | [
[
5.088113115,
2.9376234749999997,
2.07721348
],
[
2.5440565575,
1.4688117374999998,
1.03860674
],
[
0,
0,
0
],
[
7.6321696725,
4.4064352125,
3.1158202200000003
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pr", "attached"... | [
"Pr",
"Ge",
"Gd",
"Rh"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.4194882,
0,
0
],
[
0,
3.4194882,
0
],
[
0,
0,
3.4194882
]
] | -33.339737 | [
-0.006,
-0.022,
6.974,
-0.045
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.984832 | 2.889497 | pbe | true | 76163674c0380531b870b9b539fec951_216_Pr1Gd1Ge1Rh1 |
[
"Gd",
"Hg",
"Lu",
"Tl"
] | 4 | ABCD | GdHgLuTl | Gd1 Lu1 Tl1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.29131768,
0,
0
],
[
2.64565884,
4.58241553,
0
],
[
2.64565884,
1.52747184,
4.32034279
]
] | agm001921403 | [
[
5.29131768,
3.0549436849999996,
2.160171395
],
[
2.64565884,
1.5274718424999998,
1.0800856975
],
[
7.936976519999999,
4.5824155275,
3.2402570925
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Hg", "attached"... | [
"Tl",
"Gd",
"Lu",
"Hg"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.508906,
0,
0
],
[
0,
4.508906,
0
],
[
0,
0,
4.508906
]
] | -22.884035 | [
-0.009,
7.181,
0.181,
0.021
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.736901 | 4.746994 | pbe | true | 25ff7b21d18dc67e9db485becd6e3611_216_Gd1Lu1Tl1Hg1 |
[
"Gd",
"Ho",
"Nd",
"Tl"
] | 4 | ABCD | GdHoNdTl | Nd1 Gd1 Ho1 Tl1 | 4 | [
1,
1,
1
] | 3 | [
[
5.53430059,
0,
0
],
[
2.7671503,
4.7928449,
0
],
[
2.7671503,
1.59761497,
4.51873751
]
] | agm001394349 | [
[
8.3014508925,
4.792844902500001,
3.3890531325
],
[
0,
0,
0
],
[
5.5343005949999995,
3.1952299350000004,
2.259368755
],
[
2.7671502974999997,
1.5976149675000002,
1.1296843775
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Ho", "attached"... | [
"Tl",
"Gd",
"Nd",
"Ho"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.5999675,
0,
0
],
[
0,
2.5999675,
0
],
[
0,
0,
2.5999675
]
] | -26.090804 | [
-0.004,
7.318,
0.175,
0.363
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 8.488053 | 4.844769 | pbe | true | a60539039f54bdeed929fce1997faf5f_216_Nd1Gd1Ho1Tl1 |
[
"Gd",
"Lu",
"Mg",
"Y"
] | 4 | ABCD | GdLuMgY | Gd1 Y1 Lu1 Mg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.48197022,
0,
0
],
[
2.74098511,
4.74752547,
0
],
[
2.74098511,
1.58250849,
4.47600994
]
] | agm001321174 | [
[
2.74098511,
1.58250849,
1.119002485
],
[
8.22295533,
4.74752547,
3.3570074549999998
],
[
0,
0,
0
],
[
5.48197022,
3.16501698,
2.23800497
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Lu", "attached"... | [
"Gd",
"Y",
"Mg",
"Lu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.0980324,
0,
0
],
[
0,
1.0980324,
0
],
[
0,
0,
1.0980324
]
] | -26.582829 | [
7.124,
-0.014,
-0.005,
0.025
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.306118 | 4.705473 | pbe | true | 0d598806b49d25d722c19e40ffc275c1_216_Gd1Y1Lu1Mg1 |
[
"Gd",
"Lu",
"Pr",
"Sc"
] | 4 | ABCD | GdLuPrSc | Pr1 Gd1 Lu1 Sc1 | 4 | [
1,
1,
1
] | 3 | [
[
5.57011689,
0,
0
],
[
2.78505844,
4.82386273,
0
],
[
2.78505844,
1.60795424,
4.54798139
]
] | agm001390709 | [
[
2.7850584425,
1.6079542425,
1.1369953475
],
[
8.3551753275,
4.8238627275,
3.4109860425000003
],
[
5.570116885,
3.215908485,
2.273990695
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Sc", "attached"... | [
"Gd",
"Pr",
"Lu",
"Sc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.7702336,
0,
0
],
[
0,
1.7702336,
0
],
[
0,
0,
1.7702336
]
] | -29.392727 | [
7.155,
-0.066,
0.003,
-0.009
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.260989 | 5.840109 | pbe | true | 566a2cfc7737f000d5779f0f002e980e_216_Pr1Gd1Lu1Sc1 |
[
"Gd",
"Lu",
"Sn",
"Tl"
] | 4 | ABCD | GdLuSnTl | Gd1 Lu1 Tl1 Sn1 | 4 | [
1,
1,
1
] | 3 | [
[
5.34182922,
0,
0
],
[
2.67091461,
4.62615981,
0
],
[
2.67091461,
1.54205327,
4.36158529
]
] | agm001337046 | [
[
5.34182922,
3.08410654,
2.180792645
],
[
8.01274383,
4.62615981,
3.2711889674999997
],
[
0,
0,
0
],
[
2.67091461,
1.54205327,
1.0903963225
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sn", "attached"... | [
"Gd",
"Tl",
"Lu",
"Sn"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.4656873,
0,
0
],
[
0,
3.4656873,
0
],
[
0,
0,
3.4656873
]
] | -26.701153 | [
7.045,
-0.022,
0.058,
-0.024
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.249446 | 3.089889 | pbe | true | 25a5601b2216ee6e40f90fd45a7c18d6_216_Gd1Lu1Tl1Sn1 |
[
"Gd",
"Ni",
"Pt",
"Th"
] | 4 | ABCD | GdNiPtTh | Gd1 Th1 Ni1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.99898448,
0,
0
],
[
2.49949224,
4.32924755,
0
],
[
2.49949224,
1.44308252,
4.08165374
]
] | agm001299425 | [
[
2.49949224,
1.4430825175,
1.020413435
],
[
4.99898448,
2.886165035,
2.04082687
],
[
7.498476719999999,
4.3292475525,
3.061240305
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Th", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Th"]}, {"mass": null, "name": "Ni", "attached"... | [
"Ni",
"Gd",
"Pt",
"Th"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-2.143944,
0,
0
],
[
0,
-2.143944,
0
],
[
0,
0,
-2.143944
]
] | -36.099106 | [
-0.002,
7.018,
-0.005,
0.055
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.223222 | 3.280043 | pbe | true | 0626a094ce53d1375680219a15ced6a0_216_Gd1Th1Ni1Pt1 |
[
"Gd",
"Nb",
"Ru",
"Tc"
] | 4 | ABCD | GdNbRuTc | Gd1 Nb1 Tc1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.65966244,
0,
0
],
[
2.32983122,
4.03538604,
0
],
[
2.32983122,
1.34512868,
3.80459845
]
] | agm001313571 | [
[
0,
0,
0
],
[
6.98949366,
4.03538604,
2.8534488375
],
[
2.32983122,
1.34512868,
0.9511496125
],
[
4.65966244,
2.69025736,
1.902299225
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Tc", "attached"... | [
"Ru",
"Nb",
"Gd",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
5.85886,
0,
0
],
[
0,
5.85886,
0
],
[
0,
0,
5.85886
]
] | -44.26678 | [
-0.04,
0.021,
7.001,
-0.024
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.065881 | 3.236643 | pbe | true | 813eb4f0760033a2e84df02a8a0de764_216_Gd1Nb1Tc1Ru1 |
[
"Gd",
"Pb",
"Pm",
"Rh"
] | 4 | ABCD | GdPbPmRh | Pm1 Gd1 Rh1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.24224517,
0,
0
],
[
2.62112258,
4.53991749,
0
],
[
2.62112258,
1.51330583,
4.28027526
]
] | agm001402779 | [
[
5.242245165,
3.02661166,
2.14013763
],
[
7.863367747500001,
4.53991749,
3.210206445
],
[
0,
0,
0
],
[
2.6211225825,
1.51330583,
1.070068815
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pb",
"Gd",
"Rh",
"Pm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.3022103,
0,
0
],
[
0,
4.3022103,
0
],
[
0,
0,
4.3022103
]
] | -31.795603 | [
-0.011,
6.99,
-0.026,
-0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.068353 | 3.395655 | pbe | true | f520ba5a37c79826e5a5a80a152d1e43_216_Pm1Gd1Rh1Pb1 |
[
"Gd",
"Pb",
"Pt",
"Sm"
] | 4 | ABCD | GdPbPtSm | Sm1 Gd1 Pt1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.26080607,
0,
0
],
[
2.63040303,
4.5559917,
0
],
[
2.63040303,
1.5186639,
4.29543017
]
] | agm001304353 | [
[
7.8912090975,
4.5559917,
3.2215726275000005
],
[
0,
0,
0
],
[
5.260806065000001,
3.0373278,
2.147715085
],
[
2.6304030325000003,
1.5186639,
1.0738575425
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Pb", "attached"... | [
"Pb",
"Gd",
"Sm",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.486344,
0,
0
],
[
0,
4.486344,
0
],
[
0,
0,
4.486344
]
] | -31.408406 | [
-0.025,
7.036,
0.039,
-0.03
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 7.192618 | 2.587349 | pbe | true | ca8b63e9afceed5d08359eed8186c31b_216_Sm1Gd1Pt1Pb1 |
[
"Ge",
"H",
"Li",
"Pb"
] | 5 | A2BCD | GeHLi2Pb | Li2 Ge1 H1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
4.19743657,
0,
0
],
[
0,
4.19743657,
0
],
[
0,
0,
4.81463535
]
] | agm001634960 | [
[
0,
0,
2.407317675
],
[
0,
0,
0
],
[
2.098718285,
2.098718285,
2.407317675
],
[
0,
2.098718285,
0
],
[
2.098718285,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Pb", "attached": ... | [
"Pb",
"H",
"Ge",
"Li",
"Li"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
2.9144883,
0,
0
],
[
0,
2.9144883,
0
],
[
0,
0,
3.2666323
]
] | -16.027286 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000001 | 0.936932 | pbe | true | b0244dfb773a634c2c6cd5f388cc7aac_123_Li2Ge1H1Pb1 |
[
"Ge",
"Hf",
"Hg",
"O"
] | 5 | A2BCD | GeHf2HgO | Hf2 Hg1 Ge1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
5.29836311,
0,
0
],
[
0,
4.0872497,
0
],
[
0,
0,
5.29836311
]
] | agm001441208 | [
[
2.649181555,
2.04362485,
2.649181555
],
[
0,
0,
2.649181555
],
[
2.649181555,
0,
0
],
[
0,
0,
0
],
[
0,
2.04362485,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Hf", "attached"... | [
"Ge",
"Hf",
"Hf",
"Hg",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
-0.1523233,
0,
0
],
[
0,
0.6254832,
0
],
[
0,
0,
-0.1523233
]
] | -25.39116 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 4.347055 | pbe | true | e448b5e74eaa2600b844ad13e3ae3064_123_Hf2Hg1Ge1O1 |
[
"Ge",
"Hf",
"P",
"Tc"
] | 5 | A2BCD | GeHfPTc2 | Hf1 Tc2 Ge1 P1 | 4 | [
1,
1,
1
] | 3 | [
[
4.49743738,
0,
0
],
[
0,
4.98734353,
0
],
[
0,
0,
4.49743738
]
] | agm001576233 | [
[
2.24871869,
2.493671765,
2.24871869
],
[
0,
0,
0
],
[
0,
2.493671765,
0
],
[
0,
0,
2.24871869
],
[
2.24871869,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Hf", "attached"... | [
"P",
"Ge",
"Hf",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
1.0560952,
0,
0
],
[
0,
3.1806035,
0
],
[
0,
0,
1.0560952
]
] | -35.170039 | [
0,
0,
0,
0.001,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000143 | 6.042258 | pbe | true | 78d4dfe3f27dcb3656c38247517a6801_123_Hf1Tc2Ge1P1 |
[
"Ge",
"Ho",
"In",
"Ni"
] | 9 | A3B3C2D | Ge2Ho3In3Ni | Ho3 In3 Ni1 Ge2 | 4 | [
1,
1,
1
] | 3 | [
[
4.21765566,
0,
0
],
[
0,
7.31769696,
0
],
[
0,
-3.65884848,
6.33731147
]
] | agm002227017 | [
[
0,
0,
0
],
[
2.10882783,
-3.658848508165005e-8,
4.224874334457705
],
[
2.10882783,
3.658848516588485,
2.112437135542295
],
[
0,
5.130078917858899,
3.7890655997976013
],
[
0,
0.7163876042822008,
6.33731147
],
[
0,
1.47123043785... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ho", "attached"... | [
"Ni",
"Ge",
"Ge",
"Ho",
"Ho",
"Ho",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
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[
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] | -42.28748 | [
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... | -0 | 3.971953 | pbe | true | c5424995736c7e8a987472d2939a2eb4_189_Ho3In3Ni1Ge2 |
[
"Ge",
"Ir",
"Li",
"Pt"
] | 5 | A2BCD | GeIrLiPt2 | Li1 Ge1 Ir1 Pt2 | 4 | [
1,
1,
1
] | 3 | [
[
4.1938177,
0,
0
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[
0,
4.25810268,
0
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[
0,
0,
4.1938177
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] | agm001489983 | [
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[
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] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ge",
"Ir",
"Pt",
"Pt",
"Li"
] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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] | -24.429363 | [
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[
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[
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[
0,
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] | -0 | 2.284462 | pbe | true | 71207577855ac8529e77a08b11001c4d_123_Li1Ge1Ir1Pt2 |
[
"Ge",
"Ir",
"Ni",
"Pm"
] | 10 | A4B3C2D | Ge4Ir3NiPm2 | Pm2 Ni1 Ge4 Ir3 | 4 | [
1,
1,
1
] | 3 | [
[
4.26076288,
0,
0
],
[
0,
4.26076288,
0
],
[
0,
0,
10.09253238
]
] | agm004510143 | [
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[
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[
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[
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[
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2.13038144,... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ni", "attached"... | [
"Pm",
"Pm",
"Ni",
"Ge",
"Ge",
"Ge",
"Ge",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
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] | [
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[
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[
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] | -67.552705 | [
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0,
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0.001,
0.001,
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[
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[
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[
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[
0,... | 0.060735 | 7.766108 | pbe | true | f2b554d3106fd2b9f5351f54a9207076_115_Pm2Ni1Ge4Ir3 |
[
"Ge",
"Ir",
"Sm",
"U"
] | 10 | A4B3C2D | Ge3Ir4Sm2U | Sm2 U1 Ge3 Ir4 | 4 | [
1,
1,
1
] | 3 | [
[
4.23501621,
0,
0
],
[
0,
4.23501621,
0
],
[
0,
0,
11.00342141
]
] | agm004512569 | [
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[
0,
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],... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Ir", "attached": ... | [
"Sm",
"Sm",
"U",
"Ge",
"Ge",
"Ge",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.3,
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] | [
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[
0,
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[
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] | -77.050699 | [
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[
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[
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[
0,... | 1.90162 | 9.701778 | pbe | true | 358181fc23feb9648b6c2812d57bdd06_115_Sm2U1Ge3Ir4 |
[
"Ge",
"K",
"O",
"Sm"
] | 16 | A8B4C3D | GeK4O8Sm3 | K4 Sm3 Ge1 O8 | 4 | [
1,
1,
1
] | 3 | [
[
7.02042165,
0,
0
],
[
0,
7.46574219,
0.30241338
],
[
-3.51021083,
-3.50329681,
4.96949054
]
] | agm004710626 | [
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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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2.63595196
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[
-1.7551054... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": n... | [
"K",
"K",
"K",
"K",
"Sm",
"Sm",
"Sm",
"Ge",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.0625,
0.25,
0.5,
0.1875
] | [
[
0.4978516,
0,
0
],
[
0,
0.41792884,
-0.02207812
],
[
0,
-0.02207721,
0.5299221
]
] | -99.039168 | [
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0,
0,
0,
0,
0,
0,
0,
0,
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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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[
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[
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0.00050217,
... | 0 | 1.472135 | pbe | true | 0def1da89a5c88a76eacffd6bd789687_166_K4Sm3Ge1O8 |
[
"Ge",
"La",
"Mn",
"O"
] | 10 | A6B2CD | GeLa2MnO6 | La2 Mn1 Ge1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.58208827,
-0.02951935,
-0.02328773
],
[
2.70195436,
4.88882345,
-0.02201735
],
[
2.69936223,
1.58463666,
4.61733068
]
] | agm002174961 | [
[
5.496099392838196,
3.224556121593476,
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[
0.0044296664528547,
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[
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2.9959897514504252
],
[
7.0545140666269575,
3.6140437592389105,
1.2207278830878054
],
[... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "O", "attached":... | [
"Ge",
"Mn",
"O",
"O",
"O",
"O",
"O",
"O",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.1,
0.2,
0.1,
0.6
] | [
[
0.91087496,
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-0.04700757
],
[
-0.08722808,
0.9934894,
-0.12576108
],
[
-0.04700763,
-0.12576094,
0.98585445
]
] | -77.773941 | [
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4.589,
0.028,
0.028,
0.028,
0.028,
0.028,
0.028,
0.007,
0.007
] | [
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[
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[
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[
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[
-0.00204288,
0.00167082,
0.00227641
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[
0.00165791,
-0.001539... | 5.000002 | 0 | pbe | true | be654707a96bd7f9c0c91a14e4a1e4e7_2_La2Mn1Ge1O6 |
[
"Ge",
"La",
"Sc",
"Zn"
] | 5 | A2BCD | GeLa2ScZn | La2 Sc1 Zn1 Ge1 | 4 | [
1,
1,
1
] | 3 | [
[
5.79764459,
0,
0
],
[
0,
5.04693279,
0
],
[
0,
0,
5.79764459
]
] | agm001488033 | [
[
0,
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0
],
[
0,
0,
0
],
[
2.898822295,
2.523466395,
2.898822295
],
[
0,
0,
2.898822295
],
[
2.898822295,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Ge",
"Zn",
"La",
"La"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
2.321093,
0,
0
],
[
0,
0.8922229,
0
],
[
0,
0,
2.321093
]
] | -22.254267 | [
0,
0,
0,
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 | 5.399298 | pbe | true | 115bed5ec3c0d90bf4e933ae73a0f5b3_123_La2Sc1Zn1Ge1 |
[
"Ge",
"Li",
"N",
"Sn"
] | 5 | A2BCD | Ge2LiNSn | Li1 Sn1 Ge2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.97201747,
0,
0
],
[
0,
3.56381823,
0
],
[
0,
0,
4.97201747
]
] | agm001561648 | [
[
0,
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[
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0,
0
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[
0,
0,
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],
[
2.486008735,
1.781909115,
2.486008735
],
[
0,
1.781909115,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Li", "attached"... | [
"Ge",
"Ge",
"Li",
"Sn",
"N"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
0.62865764,
0,
0
],
[
0,
0.0154194,
0
],
[
0,
0,
0.62865764
]
] | -19.604067 | [
0,
0,
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0,
0
] | [
[
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[
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.084762 | pbe | true | fd614c4694a09e15f5841217f6b5b214_123_Li1Sn1Ge2N1 |
[
"Ge",
"Lu",
"Sm",
"Tl"
] | 4 | ABCD | GeLuSmTl | Sm1 Lu1 Tl1 Ge1 | 4 | [
1,
1,
1
] | 3 | [
[
5.22986669,
0,
0
],
[
2.61493334,
4.52919741,
0
],
[
2.61493334,
1.50973247,
4.27016827
]
] | agm001289198 | [
[
2.6149333425,
1.50973247,
1.0675420675
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[
5.229866685,
3.01946494,
2.135084135
],
[
7.8448000275,
4.52919741,
3.2026262025000003
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sm", "attached"... | [
"Tl",
"Lu",
"Ge",
"Sm"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.3647566,
0,
0
],
[
0,
2.3647566,
0
],
[
0,
0,
2.3647566
]
] | -17.806523 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000019 | 3.647668 | pbe | true | 1c900281d4fc19c3d4d25f056e94cf60_216_Sm1Lu1Tl1Ge1 |
[
"Ge",
"Mg",
"Na",
"Se"
] | 5 | A2BCD | Ge2MgNaSe | Na1 Mg1 Ge2 Se1 | 4 | [
1,
1,
1
] | 3 | [
[
4.97560593,
0,
0
],
[
0,
5.47272053,
0
],
[
0,
0,
4.97560593
]
] | agm001523968 | [
[
0,
2.736360265,
0
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[
0,
0,
2.487802965
],
[
2.487802965,
0,
0
],
[
0,
0,
0
],
[
2.487802965,
2.736360265,
2.487802965
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
"Ge",
"Ge",
"Mg",
"Se"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
2.0502958,
0,
0
],
[
0,
2.3258882,
0
],
[
0,
0,
2.0502958
]
] | -13.321225 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 2.259365 | pbe | true | 603d01f09c5109bc12ecb5fc802e0f4f_123_Na1Mg1Ge2Se1 |
[
"Ge",
"Mg",
"Ni",
"Ru"
] | 4 | ABCD | GeMgNiRu | Mg1 Ni1 Ge1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.24957234,
0,
0
],
[
2.12478617,
3.6802376,
0
],
[
2.12478617,
1.22674587,
3.46976128
]
] | agm001907515 | [
[
2.12478617,
1.2267458675,
0.86744032
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[
4.24957234,
2.453491735,
1.73488064
],
[
0,
0,
0
],
[
6.37435851,
3.6802376025,
2.60232096
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Ru", "attached"... | [
"Ru",
"Ge",
"Mg",
"Ni"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-2.5770729,
0,
0
],
[
0,
-2.5770729,
0
],
[
0,
0,
-2.5770729
]
] | -22.227937 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000068 | 1.152923 | pbe | true | 2d7e3839665e2e65db5f900f150ddc09_216_Mg1Ni1Ge1Ru1 |
[
"Ge",
"Mn",
"Pa",
"Tc"
] | 9 | A3B3C2D | Ge3MnPa3Tc2 | Pa3 Mn1 Tc2 Ge3 | 4 | [
1,
1,
1
] | 3 | [
[
3.92559255,
0,
0
],
[
0,
6.99961301,
0
],
[
0,
-3.49980651,
6.06184269
]
] | agm004505224 | [
[
0,
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2.4840138352574224
],
[
0,
2.0656604471726445,
3.5778288547425774
],
[
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0
],
[
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[
1.962796275,
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4.041228480206143
],
[
1.962796275,
3.4998065383313... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Pa", "attached"... | [
"Pa",
"Pa",
"Pa",
"Mn",
"Tc",
"Tc",
"Ge",
"Ge",
"Ge"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.1111111111111111,
0.3333333333333333,
0.2222222222222222
] | [
[
3.6079004,
0,
0
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[
0,
3.26488,
0
],
[
0,
0,
3.26488
]
] | -76.394169 | [
0,
0,
0,
-0.001,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
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[
0,
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[
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[
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[
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[
0,
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0
],
[
0,
0.0101347,
0.01755381
],
[
0,
0... | -0.00081 | 9.443382 | pbe | true | 0ab4c02d8af9b2e66c706db442e22edf_189_Pa3Mn1Tc2Ge3 |
[
"Ge",
"Mo",
"Sn",
"V"
] | 5 | A2BCD | GeMoSnV2 | V2 Sn1 Ge1 Mo1 | 4 | [
1,
1,
1
] | 3 | [
[
4.64596207,
0,
0
],
[
0,
4.82448993,
0
],
[
0,
0,
4.64596207
]
] | agm001501702 | [
[
0,
0,
0
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[
0,
2.412244965,
0
],
[
2.322981035,
2.412244965,
2.322981035
],
[
0,
0,
2.322981035
],
[
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0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "Sn", "attached"... | [
"Mo",
"Ge",
"Sn",
"V",
"V"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
6.251854,
0,
0
],
[
0,
3.2326279,
0
],
[
0,
0,
6.251854
]
] | -32.830292 | [
0,
0,
0,
0,
0
] | [
[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000265 | 6.540086 | pbe | true | f7df7d35c6108c20c1ffef50e365d930_123_V2Sn1Ge1Mo1 |
[
"Ge",
"N",
"Sc",
"Te"
] | 5 | A2BCD | GeN2ScTe | Sc1 Ge1 Te1 N2 | 4 | [
1,
1,
1
] | 3 | [
[
4.16978131,
0,
0
],
[
0,
4.16978131,
0
],
[
0,
0,
5.93856015
]
] | agm001739537 | [
[
0,
0,
0
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[
2.084890655,
2.084890655,
2.969280075
],
[
0,
0,
2.969280075
],
[
0,
2.084890655,
0
],
[
2.084890655,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Ge",
"Te",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
0.36758134,
0,
0
],
[
0,
0.36758134,
0
],
[
0,
0,
0.45460886
]
] | -27.398594 | [
-0.024,
-0.025,
0.093,
0.491,
0.491
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.486786 | 3.633442 | pbe | true | 1b4e2283ed3ec72d2c8a7b721e68c849_123_Sc1Ge1Te1N2 |
[
"Ge",
"N",
"Se",
"Y"
] | 5 | A2BCD | GeN2SeY | Y1 Ge1 Se1 N2 | 4 | [
1,
1,
1
] | 3 | [
[
3.93871437,
0,
0
],
[
0,
3.93871437,
0
],
[
0,
0,
5.10159605
]
] | agm001734097 | [
[
1.969357185,
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2.550798025
],
[
0,
0,
0
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[
0,
0,
2.550798025
],
[
0,
1.969357185,
0
],
[
1.969357185,
0,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "N", "attached":... | [
"Y",
"Ge",
"Se",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
0.61673546,
0,
0
],
[
0,
0.61673546,
0
],
[
0,
0,
0.71731853
]
] | -30.396963 | [
-0.015,
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-0.001,
0.217,
0.217
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.566139 | 0.966498 | pbe | true | 084fdcbf1ea02a656d32854d3ebe3e46_123_Y1Ge1Se1N2 |
[
"Ge",
"O",
"Pd",
"Sr"
] | 16 | A5BCD | GeO5PdSr | Sr2 Ge2 Pd2 O10 | 4 | [
1,
1,
1
] | 3 | [
[
5.79509455,
-0.00630573,
-0.06186875
],
[
-1.69769844,
5.54084656,
-0.06186875
],
[
-1.77773276,
-2.40126516,
6.70817396
]
] | agm005063584 | [
[
0.3988257523994682,
3.059378931456265,
1.61517474
],
[
1.9208375976005314,
0.07389673854373513,
4.9692617199999995
],
[
3.0557350054543457,
1.092384745566505,
1.61517474
],
[
-0.7360716554543449,
2.0408909244334956,
4.9692617199999995
],
[
-0.888... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Sr",
"Ge",
"Ge",
"Pd",
"Pd",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.125,
0.625,
0.125,
0.125
] | [
[
0.89314,
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-0.04744385
],
[
-0.01354245,
0.8848735,
-0.06408459
],
[
-0.04744379,
-0.0640845,
0.8178934
]
] | -96.995636 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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0
],
[
0.00182613,
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0
],
[
-0.00147303,
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0
],
[
0.00147303,
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0
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[
0,
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[
0,
0,
0
],
[
0.00079618,
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0
],
[
-0.00079618,... | 0.000009 | 3.394015 | pbe | true | 9a221369b744e3eaad93dd0a2b8be8dd_15_Sr2Ge2Pd2O10 |
[
"Ge",
"Pa",
"Pu",
"Sn"
] | 4 | ABCD | GePaPuSn | Pu1 Pa1 Sn1 Ge1 | 4 | [
1,
1,
1
] | 3 | [
[
3.33575587,
0,
0
],
[
0,
3.33575587,
0
],
[
0,
0,
8.5502318
]
] | agm005192935 | [
[
1.667877935,
1.667877935,
6.816235556709657
],
[
1.667877935,
1.667877935,
2.9412882039294823
],
[
0,
0,
0.623053937726594
],
[
0,
0,
4.879020995094268
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Pa", "attached"... | [
"Pu",
"Pa",
"Sn",
"Ge"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.9628001,
0,
0
],
[
0,
1.9628001,
0
],
[
0,
0,
1.812441
]
] | -33.868984 | [
5.445,
0.049,
-0.048,
-0.044
] | [
[
0,
0,
0.00029099
],
[
0,
0,
0.00135549
],
[
0,
0,
0.01075996
],
[
0,
0,
-0.01240645
]
] | 5.711737 | 9.855636 | pbe | true | 5cead99bed358eeb6c2fb9b2af5acc2a_99_Pu1Pa1Sn1Ge1 |
[
"Ge",
"Re",
"Ru",
"Ti"
] | 4 | ABCD | GeReRuTi | Ti1 Re1 Ge1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
4.34478507,
0,
0
],
[
2.17239254,
3.76269425,
0
],
[
2.17239254,
1.25423142,
3.54750216
]
] | agm001284045 | [
[
2.1723925375000004,
1.2542314175,
0.88687554
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[
4.344785075000001,
2.508462835,
1.77375108
],
[
0,
0,
0
],
[
6.517177612500001,
3.7626942525000002,
2.66062662
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ru", "attached"... | [
"Re",
"Ge",
"Ti",
"Ru"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.5136065,
0,
0
],
[
0,
4.5136065,
0
],
[
0,
0,
4.5136065
]
] | -35.653929 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000042 | 2.380025 | pbe | true | 13fb0d93e38fdba2693180cdff2bef83_216_Ti1Re1Ge1Ru1 |
[
"Ge",
"Sb",
"Sm",
"Te"
] | 12 | A6B3C2D | GeSb2Sm6Te3 | Sm6 Ge1 Sb2 Te3 | 4 | [
1,
1,
1
] | 3 | [
[
4.41639015,
0,
0
],
[
0,
8.89417399,
0.29659316
],
[
-2.20819507,
-2.58480763,
9.33574438
]
] | agm004595308 | [
[
3.440712100684055e-9,
6.382681396203467,
6.696479240966143
],
[
2.208192868480993,
4.271056310699649,
3.3007880772404645
],
[
2.2081950765592877,
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2.9358582990338564
],
[
0.000002186118464400029,
2.017086249144454,
0.0773264943715614... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Te", "attached"... | [
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Ge",
"Sb",
"Sb",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.08333333333333333,
0.16666666666666666,
0.5,
0.25
] | [
[
0.5239644,
0,
0
],
[
0,
0.50356877,
0.0189528
],
[
0,
0.01895279,
0.45639285
]
] | -66.206251 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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0.00340473
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[
0,
0.0031371,
0.0005386
],
[
0,
0.00190868,
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[
0,
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[
0,
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[
0,
-0.0031371,
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[
0,
0,
0
],
[
... | 0.000001 | 4.158096 | pbe | true | 514dff2d1eed161fa5b9ea44834477a0_12_Sm6Ge1Sb2Te3 |
[
"Ge",
"Sm",
"Te",
"Tl"
] | 8 | A4B2CD | GeSmTe4Tl2 | Sm1 Tl2 Ge1 Te4 | 4 | [
1,
1,
1
] | 3 | [
[
4.44870967,
-0.00000182,
-0.00000192
],
[
0.00004752,
8.15278628,
-0.25467459
],
[
0.00004117,
2.77765543,
7.32961852
]
] | agm004810728 | [
[
0.00004656925498,
5.465184437730845,
3.53750647632992
],
[
0.00004117000635,
2.7776608051308496,
7.32961093570689
],
[
2.2243754200063504,
1.38883218013085,
3.6648007157068903
],
[
2.224415316341025,
6.854058500353526,
7.202276218180776
],
[
0.00... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Te", "attached"... | [
"Sm",
"Tl",
"Tl",
"Ge",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.125,
0.125,
0.5,
0.25
] | [
[
1.2439001,
0.00000712,
0.00000387
],
[
0.00000712,
1.2976608,
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],
[
0.00000387,
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1.3494153
]
] | -31.136708 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
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[
0,
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0
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[
0,
0,
0
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[
2e-8,
0.00399466,
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[
-2e-8,
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0.00042231
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[
3e-8,
0.00447878,
-0.00044612
],
[
-3e-8,
-0.00447878,
0.00044612
... | -0.00005 | 5.492441 | pbe | true | 4cdf132b19be86833aa397262e708200_10_Sm1Tl2Ge1Te4 |
[
"H",
"I",
"N",
"Te"
] | 4 | ABCD | HINTe | Te1 H1 I1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
3.19563057,
0.00363974,
-0.00642564
],
[
-0.07330566,
4.99653122,
0.02658105
],
[
-1.24556202,
-0.14663324,
6.62800087
]
] | agm002082050 | [
[
2.239977330555414,
3.322083983231075,
1.4487060467849393
],
[
0.7157652672420585,
0.24393464051104,
2.1466303728434597
],
[
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1.1525255895219344,
5.610048639780871
],
[
0.6433335730083821,
4.238722831463548,
2.454301655552474
]
] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Te", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Te"]}, {"mass": null, "name": "I", "attached": n... | [
"Te",
"H",
"I",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-0.09065035,
0.03249396,
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[
0.03249378,
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0.04333541
],
[
-0.04226315,
0.04333509,
0.2584439
]
] | -15.066918 | [
0,
0,
0,
0
] | [
[
0.00100103,
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[
-0.00106461,
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],
[
-0.00114525,
0.00237858,
0.00291343
],
[
0.00120883,
0.00267595,
-0.00389383
]
] | 0.000006 | 2.202312 | pbe | true | d22fbae9dda763d68d09c98a5813444d_1_Te1H1I1N1 |
[
"H",
"K",
"Nb",
"O"
] | 15 | A6B6C2D | H6K2NbO6 | H6 K2 Nb1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
3.219857442,
1.858985561,
4.142762859
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[
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[
0,
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] | oqmd-8494538 | [
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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": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Nb", "attached": nu... | [
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"Nb",
"O",
"O",
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"O",
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] | 2024-11-01 00:00:00 | [
0.4,
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[
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... | 1.0005 | null | pbe | true | a74f9654d69d5dcd163c75bb0ddedfca_148_K2Nb1H6O6 |
[
"H",
"Mg",
"Mn",
"Rh"
] | 5 | A2BCD | HMgMn2Rh | Mg1 Mn2 H1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.02108015,
0,
0
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[
0,
4.02108015,
0
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[
0,
0,
3.85907223
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] | agm001647258 | [
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] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Rh", "attached": ... | [
"H",
"Mg",
"Mn",
"Mn",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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] | -30.909697 | [
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] | 7.695614 | 3.077027 | pbe | true | cd5df9d5b43d219597791e2403d6a788_123_Mg1Mn2H1Rh1 |
[
"H",
"Nb",
"Sb",
"Ta"
] | 5 | A2BCD | HNbSbTa2 | Ta2 Nb1 Sb1 H1 | 4 | [
1,
1,
1
] | 3 | [
[
4.20513285,
0,
0
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[
0,
4.20513285,
0
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[
0,
0,
4.33402279
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] | agm001609063 | [
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sb", "attached"... | [
"Sb",
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"H",
"Ta",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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] | -41.394137 | [
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[
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[
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]
] | -0.000001 | 2.544446 | pbe | true | 9e7eac4ed58109725158608ab69bc5ee_123_Ta2Nb1Sb1H1 |
[
"Hf",
"In",
"O",
"Ru"
] | 18 | A6BCD | HfInO6Ru | Hf2 In2 Ru2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
4.83217521,
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0
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[
-0.00000725,
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0
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[
0,
0,
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] | agm005101737 | [
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[
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3.19983014028513... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Ru", "attached"... | [
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"O",
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] | 2023-11-16 06:57:59 | [
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[
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] | -137.185855 | [
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[
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-0.0025996... | 5.673267 | 4.220741 | pbe | true | dd8aaebf727acb0344af0aa1e8436021_102_Hf2In2Ru2O12 |
[
"Hf",
"K",
"Rb",
"S"
] | 12 | A3BCD | HfKRbS3 | K2 Rb2 Hf2 S6 | 4 | [
1,
1,
1
] | 3 | [
[
6.84680764,
0.01316841,
0
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[
1.4951836,
7.44805135,
0
],
[
0.7475918,
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] | agm005028848 | [
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[
... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "K", "attached": n... | [
"K",
"K",
"Rb",
"Rb",
"Hf",
"Hf",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
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0.5
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[
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[
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[
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0.00... | 0 | 0 | pbe | true | c417f9657332f5fde008575028837a81_15_K2Rb2Hf2S6 |
[
"Hf",
"Li",
"Ni",
"Zn"
] | 4 | ABCD | HfLiNiZn | Li1 Hf1 Zn1 Ni1 | 4 | [
1,
1,
1
] | 3 | [
[
4.32649143,
0,
0
],
[
2.16324572,
3.74685149,
0
],
[
2.16324572,
1.2489505,
3.53256546
]
] | agm001355895 | [
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0.883141365
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[
4.326491434999999,
2.497900995,
1.76628273
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[
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3.7468514925,
2.6494240949999996
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] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached"... | [
"Ni",
"Zn",
"Hf",
"Li"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25
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[
0,
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[
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] | -19.732322 | [
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[
0,
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[
0,
0,
0
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] | -0.012558 | 6.656661 | pbe | true | 35809dc8d114490c9789fe67c65b89b1_216_Li1Hf1Zn1Ni1 |
[
"Hf",
"Mg",
"O",
"Sc"
] | 10 | A6B2CD | HfMgO6Sc2 | Hf1 Mg1 Sc2 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.35078944,
0.00009794,
0.00030991
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[
2.67546605,
4.63370231,
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[
2.67536071,
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4.77698391
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] | agm004951956 | [
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2.67545110270537,
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[
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1.5445898105271263,
4.436708280629633
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[... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mg", "attached": ... | [
"Hf",
"Mg",
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"Sc",
"O",
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] | 2023-11-16 06:57:59 | [
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[
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] | -87.385371 | [
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[
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0.00026... | -0.00001 | 0 | pbe | true | f7f9f2b8cb65e1e1c9559193fb42b8e3_146_Hf1Mg1Sc2O6 |
[
"Hf",
"Mg",
"Ru",
"Sr"
] | 5 | A2BCD | HfMgRu2Sr | Sr1 Hf1 Mg1 Ru2 | 4 | [
1,
1,
1
] | 3 | [
[
4.85605913,
0,
0
],
[
0,
5.4016059,
0
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[
0,
0,
4.85605913
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] | agm001565432 | [
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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": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Mg", "attached"... | [
"Ru",
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"Hf",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.4,
0.2
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[
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[
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] | -28.323949 | [
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[
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[
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[
0,
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] | 0 | 3.910345 | pbe | true | cef0693eae11e47f4db6e0990f5d83ca_123_Sr1Hf1Mg1Ru2 |
[
"Hf",
"N",
"Na",
"Si"
] | 12 | A3BCD | HfN3NaSi | Na2 Hf2 Si2 N6 | 4 | [
1,
1,
1
] | 3 | [
[
3.14075558,
0,
0
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[
0,
6.59327971,
0.45350055
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[
0,
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] | agm005032412 | [
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[
2.355566685,
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[
0.785188895,
0.02... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Si", "attached"... | [
"Na",
"Na",
"Hf",
"Hf",
"Si",
"Si",
"N",
"N",
"N",
"N",
"N",
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] | 2023-11-16 06:57:59 | [
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[
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] | -95.426028 | [
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[
0,
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[
0,
-0.00118337,
... | 0 | 0 | pbe | true | 568f3127578a0fce6abf0e618706d75b_11_Na2Hf2Si2N6 |
[
"Hf",
"N",
"O",
"Ru"
] | 5 | A2BCD | HfNO2Ru | Hf1 Ru1 N1 O2 | 4 | [
1,
1,
1
] | 3 | [
[
4.0274357,
0,
0
],
[
0,
4.0274357,
0
],
[
0,
0,
4.2889568
]
] | agm001750947 | [
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[
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[
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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": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": ... | [
"Ru",
"Hf",
"O",
"O",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
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0.4,
0.2
] | [
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[
0,
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[
0,
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] | -40.419961 | [
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0
]
] | 4.66694 | 3.715236 | pbe | true | 45eb911968ffbd2a1fd510046fbd2c0e_123_Hf1Ru1N1O2 |
[
"Hf",
"N",
"Sc",
"Tm"
] | 8 | A4B2CD | Hf2N4ScTm | Tm1 Hf2 Sc1 N4 | 4 | [
1,
1,
1
] | 3 | [
[
3.2441335,
0,
0
],
[
0,
5.61156033,
0.09305963
],
[
0,
-1.9667635,
5.29767971
]
] | agm004841551 | [
[
1.62206675,
2.805780165,
0.046529815
],
[
1.62206675,
-0.98338175,
2.648839855
],
[
0,
1.8223984149999999,
2.69536967
],
[
0,
0,
0
],
[
1.62206675,
0.8856933331026788,
1.403845183870267
],
[
1.62206675,
2.7591034968973207,
... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tm",
"Hf",
"Hf",
"Sc",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.125,
0.125
] | [
[
0.882762,
0,
0
],
[
0,
0.79306674,
0.02432228
],
[
0,
0.02432231,
0.8519937
]
] | -78.940453 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0.00163365,
0.00058825
],
[
0,
-0.00163365,
-0.00058825
],
[
0,
0.00096223,
0.00053233
],
[
0,
-0.00096223,
-0.00053233
]
] | -0 | 3.307443 | pbe | true | 4f9646a5792de913cc10ca41c3e5b092_10_Tm1Hf2Sc1N4 |
[
"Hf",
"Ni",
"Tc",
"Ti"
] | 4 | ABCD | HfNiTcTi | Hf1 Ti1 Tc1 Ni1 | 4 | [
1,
1,
1
] | 3 | [
[
3.19644808,
0,
0
],
[
0,
3.19644808,
0
],
[
0,
0,
6.10169793
]
] | agm005188244 | [
[
1.59822404,
1.59822404,
0.6305779590155332
],
[
1.59822404,
1.59822404,
3.688108039180966
],
[
0,
0,
2.2671190591282393
],
[
0,
0,
5.178024544815041
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Ni", "attached"... | [
"Hf",
"Ti",
"Tc",
"Ni"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-3.2881267,
0,
0
],
[
0,
-3.2881267,
0
],
[
0,
0,
-3.3748844
]
] | -35.964729 | [
0,
0,
0,
0
] | [
[
0,
0,
-0.00116969
],
[
0,
0,
0.0026042
],
[
0,
0,
-0.00408753
],
[
0,
0,
0.00265302
]
] | 0 | 3.280614 | pbe | true | 8257ae536b7ab7e875528440b55e16e0_99_Hf1Ti1Tc1Ni1 |
[
"Hf",
"Ni",
"P",
"S"
] | 5 | A2BCD | HfNiPS2 | Hf1 Ni1 P1 S2 | 4 | [
1,
1,
1
] | 3 | [
[
4.86469869,
0,
0
],
[
0,
4.86469869,
0
],
[
0,
0,
5.04296412
]
] | agm001777475 | [
[
2.432349345,
2.432349345,
2.52148206
],
[
0,
2.432349345,
0
],
[
2.432349345,
0,
0
],
[
0,
0,
0
],
[
0,
0,
2.52148206
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Ni", "attached": ... | [
"Ni",
"S",
"S",
"Hf",
"P"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
-0.85120136,
0,
0
],
[
0,
-0.85120136,
0
],
[
0,
0,
-1.0082002
]
] | -27.846063 | [
1.006,
0.106,
0.106,
-0.001,
0.129
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.618231 | 9.223428 | pbe | true | 05a2f6970f3fbd3ddbf34d84d013ee47_123_Hf1Ni1P1S2 |
[
"Hf",
"O",
"Pa",
"Sr"
] | 18 | A6BCD | HfO6PaSr | Sr2 Hf2 Pa2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
5.75097301,
0,
0
],
[
-2.87548651,
4.98048873,
0
],
[
0,
0,
10.37798913
]
] | agm005083341 | [
[
0,
0,
0
],
[
0,
0,
5.188994565
],
[
2.8754865320881984,
1.660162893398371,
2.5944972825
],
[
-3.2088198572341075e-8,
3.3203258366016293,
7.7834918475
],
[
-3.2088198572341075e-8,
3.3203258366016293,
2.5944972825
],
[
2.87548653208... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Pa", "attached": ... | [
"Sr",
"Sr",
"Hf",
"Hf",
"Pa",
"Pa",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1111111111111111,
0.6666666666666666,
0.1111111111111111,
0.1111111111111111
] | [
[
0.48119783,
0,
0
],
[
0,
0.48119783,
0
],
[
0,
0,
0.87249
]
] | -158.430419 | [
0.002,
0.002,
-0.024,
-0.024,
0.058,
0.058,
0.129,
0.129,
0.129,
0.129,
0.129,
0.129,
0.129,
0.129,
0.129,
0.129,
0.129,
0.129
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
-0.00033418,
-0.00011495,
-0.00135283
],
[
0.00006754,
0.00034689,
-0.00135283
],
[
0.00026665,
0.00... | 1.93605 | 14.671515 | pbe | true | 9f60fddda9a0828ec24d11cc45d1ebd0_163_Sr2Hf2Pa2O12 |
[
"Hg",
"Ho",
"Pd",
"Tm"
] | 4 | ABCD | HgHoPdTm | Ho1 Tm1 Hg1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
3.54699649,
0,
0
],
[
0,
3.54699649,
0
],
[
0,
0,
7.32508476
]
] | agm005187795 | [
[
1.773498245,
1.773498245,
4.293738487694611
],
[
1.773498245,
1.773498245,
0.9432332180875381
],
[
0,
0,
6.305271370038194
],
[
0,
0,
2.5802273380692564
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached"... | [
"Ho",
"Tm",
"Hg",
"Pd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.3291543,
0,
0
],
[
0,
3.3291543,
0
],
[
0,
0,
3.369183
]
] | -17.360677 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00056389
],
[
0,
0,
-0.00038636
],
[
0,
0,
-0.00076382
],
[
0,
0,
0.00058629
]
] | -0 | 2.610073 | pbe | true | a7d25b01723484bbe59afb478fc84a18_99_Ho1Tm1Hg1Pd1 |
[
"Hg",
"Ho",
"Pr",
"Tb"
] | 4 | ABCD | HgHoPrTb | Tb1 Pr1 Ho1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
3.66794932,
0,
0
],
[
0,
3.66794932,
0
],
[
0,
0,
8.87476789
]
] | agm005196246 | [
[
1.83397466,
1.83397466,
6.981947454680763
],
[
0,
0,
0.6492570743801795
],
[
1.83397466,
1.83397466,
3.1709292740085133
],
[
0,
0,
5.036664450213543
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ho", "attached"... | [
"Tb",
"Pr",
"Ho",
"Hg"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.4215981,
0,
0
],
[
0,
1.4215981,
0
],
[
0,
0,
1.305894
]
] | -15.224433 | [
0,
0,
0.001,
0
] | [
[
0,
0,
0.00070923
],
[
0,
0,
-0.00408138
],
[
0,
0,
0.00253024
],
[
0,
0,
0.0008419
]
] | 0.000146 | 4.886336 | pbe | true | f304b9ad91f1fa1c41ae2dfb340b4f27_99_Tb1Pr1Ho1Hg1 |
[
"Hg",
"Ho",
"Sc",
"Tm"
] | 4 | ABCD | HgHoScTm | Ho1 Tm1 Sc1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.2719193,
0,
0
],
[
2.63595965,
4.56561604,
0
],
[
2.63595965,
1.52187201,
4.30450408
]
] | agm001390480 | [
[
0,
0,
0
],
[
7.907878950000001,
4.5656160375,
3.22837806
],
[
5.2719193,
3.043744025,
2.15225204
],
[
2.63595965,
1.5218720125,
1.07612602
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached"... | [
"Sc",
"Tm",
"Hg",
"Ho"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.1475222,
0,
0
],
[
0,
2.1475222,
0
],
[
0,
0,
2.1475222
]
] | -15.96249 | [
0.265,
0.158,
-0.002,
0.141
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.725198 | 5.682542 | pbe | true | 298c2aafa6d6a77a41a81fe9bc262229_216_Ho1Tm1Sc1Hg1 |
[
"Hg",
"I",
"K",
"Pd"
] | 5 | A2BCD | HgIK2Pd | K2 Hg1 Pd1 I1 | 4 | [
1,
1,
1
] | 3 | [
[
6.29465069,
0,
0
],
[
0,
5.28064779,
0
],
[
0,
0,
6.29465069
]
] | agm001562620 | [
[
0,
2.640323895,
0
],
[
0,
0,
3.147325345
],
[
3.147325345,
0,
0
],
[
3.147325345,
2.640323895,
3.147325345
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "I", "attached": n... | [
"I",
"K",
"K",
"Hg",
"Pd"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
2.4147923,
0,
0
],
[
0,
1.4575492,
0
],
[
0,
0,
2.4147923
]
] | -10.991276 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.040561 | pbe | true | 1093367b4222273193143dbe5e58b6fb_123_K2Hg1Pd1I1 |
[
"Hg",
"I",
"Pb",
"Sb"
] | 5 | A2BCD | HgI2PbSb | Hg1 Sb1 Pb1 I2 | 4 | [
1,
1,
1
] | 3 | [
[
6.29163398,
0,
0
],
[
0,
6.03327197,
0
],
[
0,
0,
6.29163398
]
] | agm001515124 | [
[
0,
0,
0
],
[
0,
0,
3.14581699
],
[
3.14581699,
0,
0
],
[
0,
3.016635985,
0
],
[
3.14581699,
3.016635985,
3.14581699
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Sb", "attached"... | [
"Pb",
"I",
"I",
"Hg",
"Sb"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
1.3073703,
0,
0
],
[
0,
2.0545602,
0
],
[
0,
0,
1.3073703
]
] | -9.966881 | [
0.017,
0.053,
0.05,
0.02,
0.955
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.778675 | 3.330016 | pbe | true | 2d2c6c48fa65e4e5c7bf75b2653c5078_123_Hg1Sb1Pb1I2 |
[
"Hg",
"In",
"Pr",
"Y"
] | 4 | ABCD | HgInPrY | Pr1 Y1 In1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.41511073,
0,
0
],
[
2.70755537,
4.68962346,
0
],
[
2.70755537,
1.56320782,
4.4214194
]
] | agm001914211 | [
[
8.1226661025,
4.68962346,
3.31606455
],
[
2.7075553675,
1.56320782,
1.10535485
],
[
5.415110735,
3.12641564,
2.2107097
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pr", "attached"... | [
"Pr",
"Y",
"Hg",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.891051,
0,
0
],
[
0,
2.891051,
0
],
[
0,
0,
2.891051
]
] | -16.20887 | [
0.077,
0.092,
0.012,
-0.006
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.33966 | 4.743517 | pbe | true | 8b8b656691e9f850cd3b51bfcb4a4915_216_Pr1Y1In1Hg1 |
[
"Hg",
"Ir",
"Sr",
"Zn"
] | 5 | A2BCD | HgIrSrZn2 | Sr1 Zn2 Hg1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.86427849,
0,
0
],
[
0,
4.86427849,
0
],
[
0,
0,
5.27437282
]
] | agm001640473 | [
[
2.432139245,
2.432139245,
2.63718641
],
[
0,
2.432139245,
0
],
[
2.432139245,
0,
0
],
[
0,
0,
0
],
[
0,
0,
2.63718641
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Zn",
"Zn",
"Ir",
"Hg"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
2.877876,
0,
0
],
[
0,
2.877876,
0
],
[
0,
0,
3.1600947
]
] | -14.444407 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 1.959945 | pbe | true | c9f63eb575ba82449d6a71f91bba051d_123_Sr1Zn2Hg1Ir1 |
[
"Hg",
"K",
"Nd",
"Te"
] | 12 | A3BCD | HgKNdTe3 | K2 Nd2 Hg2 Te6 | 4 | [
1,
1,
1
] | 3 | [
[
4.59306285,
0,
0
],
[
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9.47523313,
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[
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] | agm005026799 | [
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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": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Nd", "attached": ... | [
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"Hg",
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] | 2023-11-16 06:57:59 | [
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... | 0 | -0.035335 | pbe | true | df3dbb8d6a9b4dd89a9db0b8bc498050_11_K2Nd2Hg2Te6 |
[
"Hg",
"La",
"Li",
"Pb"
] | 5 | A2BCD | Hg2LaLiPb | Li1 La1 Hg2 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
4.94780433,
0
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[
0,
0,
5.25446773
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] | agm001646863 | [
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[
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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": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Pb", "attached"... | [
"Pb",
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"Hg",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -12.681429 | [
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[
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[
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[
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] | 0 | 2.371614 | pbe | true | 84578f632a4eccffbde34d936b49e17c_123_Li1La1Hg2Pb1 |
[
"Hg",
"La",
"Na",
"Pm"
] | 8 | A4B2CD | Hg4LaNaPm2 | Na1 La1 Pm2 Hg4 | 4 | [
1,
1,
1
] | 3 | [
[
5.33746615,
0,
0
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[
2.66873307,
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0
],
[
2.66873307,
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] | agm004806325 | [
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[
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[
5.337466117088516,
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]... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
"La",
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"Pm",
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"Hg",
"Hg",
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] | 2023-11-16 06:57:59 | [
0.5,
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[
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[
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] | -20.334643 | [
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[
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[
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[
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[
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[
0,
0,
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[
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] | 0 | 7.524108 | pbe | true | 936c5a1c6345c57b241a8097b1dcdb82_166_Na1La1Pm2Hg4 |
[
"Hg",
"Li",
"Na",
"Se"
] | 4 | ABCD | HgLiNaSe | Na1 Li1 Hg1 Se1 | 4 | [
1,
1,
1
] | 3 | [
[
5.01095342,
0,
0
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[
2.50547671,
4.33961296,
0
],
[
2.50547671,
1.44653765,
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] | agm001915560 | [
[
5.01095342,
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[
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[
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1.022856585
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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": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Se", "attached"... | [
"Na",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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2.239913,
0
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[
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2.239913
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] | -9.716335 | [
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[
0,
0,
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[
0,
0,
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[
0,
0,
0
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] | 0 | 0.083802 | pbe | true | 32f9b61dd2628da09c7d615d4f9c0670_216_Na1Li1Hg1Se1 |
[
"Hg",
"Li",
"Pb",
"Sr"
] | 5 | A2BCD | HgLiPb2Sr | Sr1 Li1 Hg1 Pb2 | 4 | [
1,
1,
1
] | 3 | [
[
6.21232358,
0,
0
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[
0,
6.03872937,
0
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[
0,
0,
6.21232358
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] | agm001434677 | [
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[
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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": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Li", "attached"... | [
"Pb",
"Pb",
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"Hg",
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] | 2023-11-16 06:57:59 | [
0.2,
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0.4,
0.2
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[
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0
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[
0,
1.7471423,
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[
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0,
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] | -8.929976 | [
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[
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[
0,
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[
0,
0,
0
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[
0,
0,
0
]
] | -0 | 4.660842 | pbe | true | 11f3ac989e2f3c2e5cebdb91f960a753_123_Sr1Li1Hg1Pb2 |
[
"Hg",
"Li",
"Tb",
"Th"
] | 8 | A4B2CD | Hg4Li2TbTh | Li2 Tb1 Th1 Hg4 | 4 | [
1,
1,
1
] | 3 | [
[
5.08992155,
0,
0
],
[
2.54496077,
4.40800137,
0
],
[
2.54496077,
1.46933379,
8.36045638
]
] | agm004805990 | [
[
7.634882317513679,
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[
2.5449607724863212,
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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": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Th", "attached"... | [
"Li",
"Li",
"Tb",
"Th",
"Hg",
"Hg",
"Hg",
"Hg"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.125,
0.125
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[
0,
3.6142197,
0
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[
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] | -20.028293 | [
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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,
0,
0.0009934
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[
0,
0,
-0.00181406
]
] | -0.000001 | 4.002141 | pbe | true | ec51bbd8b61d30d28aac2d5602a31f98_166_Li2Tb1Th1Hg4 |
[
"Hg",
"Mg",
"N",
"Zr"
] | 5 | A2BCD | HgMgNZr2 | Mg1 Zr2 Hg1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.49351635,
0,
0
],
[
0,
4.49351635,
0
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[
0,
0,
4.37416191
]
] | agm001614155 | [
[
0,
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[
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2.187080955
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[
0,
2.246758175,
0
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[
2.246758175,
0,
0
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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": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Mg", "attached"... | [
"Mg",
"Hg",
"Zr",
"Zr",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
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[
0,
0.3151164,
0
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[
0,
0,
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] | -30.815729 | [
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[
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000014 | 2.356696 | pbe | true | 07036ed9a9971331363647b3c0c95322_123_Mg1Zr2Hg1N1 |
[
"Hg",
"Mg",
"Nd",
"Y"
] | 8 | A4B2CD | Hg4MgNdY2 | Nd1 Y2 Mg1 Hg4 | 4 | [
1,
1,
1
] | 3 | [
[
5.15746064,
0,
0
],
[
2.57873032,
4.46649193,
0
],
[
2.57873032,
1.48883064,
8.84245071
]
] | agm004793279 | [
[
0,
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[
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[
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[
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4.421225355
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[
5.15746064,
2.9776612837906646,
7.629270893813354
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[... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Mg", "attached"... | [
"Nd",
"Y",
"Y",
"Mg",
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"Hg",
"Hg",
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] | 2023-11-16 06:57:59 | [
0.5,
0.125,
0.125,
0.25
] | [
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[
0,
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[
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] | -24.147447 | [
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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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0.00333038
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[
0,
0,
-0.00333038
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[
0,
0,
0.00236873
]
] | 0.000008 | 5.79191 | pbe | true | d3fb78bcfc203c1fd2a0f093d6c18670_166_Nd1Y2Mg1Hg4 |
[
"Hg",
"Mo",
"Pb",
"Ti"
] | 5 | A2BCD | Hg2MoPbTi | Ti1 Hg2 Mo1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.36695607,
0,
0
],
[
0,
4.5170603,
0
],
[
0,
0,
5.36695607
]
] | agm001478024 | [
[
2.683478035,
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[
0,
2.25853015,
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[
0,
0,
2.683478035
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[
2.683478035,
0,
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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": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Mo", "attached"... | [
"Pb",
"Mo",
"Hg",
"Hg",
"Ti"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
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0,
0
],
[
0,
2.350435,
0
],
[
0,
0,
6.4970803
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] | -18.970228 | [
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1.165,
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-0.03,
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] | [
[
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[
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 0.976679 | 3.498343 | pbe | true | dd0be2903ca3b1852e213b220469b1e1_123_Ti1Hg2Mo1Pb1 |
[
"Hg",
"N",
"Os",
"S"
] | 5 | A2BCD | HgN2OsS | Hg1 Os1 S1 N2 | 4 | [
1,
1,
1
] | 3 | [
[
3.97501484,
0,
0
],
[
0,
3.97501484,
0
],
[
0,
0,
6.18428116
]
] | agm001731336 | [
[
0,
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[
1.98750742,
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3.09214058
],
[
0,
0,
0
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[
0,
1.98750742,
0
],
[
1.98750742,
0,
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Os", "attached": ... | [
"S",
"Os",
"Hg",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
0.5079889,
0,
0
],
[
0,
0.5079889,
0
],
[
0,
0,
0.5797759
]
] | -18.297405 | [
0.148,
2.83,
0.096,
0.942,
0.942
] | [
[
0,
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[
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.124963 | 4.37404 | pbe | true | 3e5e7d52f5aa94af3db7459343c9a48a_123_Hg1Os1S1N2 |
[
"Hg",
"N",
"Sc",
"Tb"
] | 5 | A2BCD | HgNSc2Tb | Tb1 Sc2 Hg1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.78993264,
0,
0
],
[
0,
4.49281453,
0
],
[
0,
0,
4.49281453
]
] | agm005013757 | [
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[
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2.246407265
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[
0,
2.246407265,
0
],
[
2.39496632,
2.246407265,
2.246407265
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[
0,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Sc", "attached"... | [
"Tb",
"Sc",
"Sc",
"Hg",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
0.41587237,
0,
0
],
[
0,
0.0237832,
0
],
[
0,
0,
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]
] | -30.908027 | [
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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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] | -0.00002 | 3.236523 | pbe | true | 33419c755b17daf25429e494ffb92d15_123_Tb1Sc2Hg1N1 |
[
"Hg",
"Nb",
"Rh",
"V"
] | 5 | A2BCD | HgNbRhV2 | Nb1 V2 Hg1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.46716611,
0,
0
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[
0,
5.23783823,
0
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[
0,
0,
4.46716611
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] | agm001586165 | [
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[
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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": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Rh", "attached"... | [
"Nb",
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"V",
"V"
] | 2023-11-16 06:57:59 | [
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[
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] | -28.315688 | [
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[
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[
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[
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] | 0.00001 | 6.574257 | pbe | true | e1686046df9690e1a62e2d0da0497829_123_Nb1V2Hg1Rh1 |
[
"Hg",
"Nd",
"O",
"Tl"
] | 20 | A12B4C3D | HgNd12O3Tl4 | Nd12 Tl4 Hg1 O3 | 4 | [
1,
1,
1
] | 3 | [
[
8.9935566,
0,
0
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[
-2.9978522,
8.47920647,
0
],
[
-2.9978522,
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] | agm004704169 | [
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[
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[
4.35701633... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Nd", "attached"... | [
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"Tl",
"Tl",
"Tl",
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"O",
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] | 2023-11-16 06:57:59 | [
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[
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[
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] | -100.114684 | [
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[
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... | -0.000001 | 13.744811 | pbe | true | c86aec0dbec7a0ae310569b799f12350_229_Nd12Tl4Hg1O3 |
[
"Hg",
"Ni",
"Pb",
"Rb"
] | 5 | A2BCD | Hg2NiPbRb | Rb1 Ni1 Hg2 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.30003074,
0,
0
],
[
0,
5.30003074,
0
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[
0,
0,
5.11655059
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] | agm001627906 | [
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[
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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": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ni", "attached"... | [
"Pb",
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"Hg",
"Hg",
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] | 2023-11-16 06:57:59 | [
0.4,
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[
0,
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[
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] | -11.284158 | [
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | -0.000025 | 2.731112 | pbe | true | f9c39e69006925887dd72edebda522a5_123_Rb1Ni1Hg2Pb1 |
[
"Hg",
"O",
"P",
"S"
] | 5 | A2BCD | HgOP2S | Hg1 P2 S1 O1 | 4 | [
1,
1,
1
] | 3 | [
[
5.01635578,
0,
0
],
[
0,
5.01635578,
0
],
[
0,
0,
4.0672169
]
] | agm001762517 | [
[
0,
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0
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[
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[
2.50817789,
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[
0,
0,
0
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[
0,
0,
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Hg", "attached": nu... | [
"P",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
0,
0.47530186,
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[
0,
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] | -13.811439 | [
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[
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.000407 | 3.736827 | pbe | true | e6153711342ccc13218c068bac43d5c0_123_Hg1P2S1O1 |
[
"Hg",
"Pb",
"Pd",
"Ta"
] | 5 | A2BCD | HgPb2PdTa | Ta1 Hg1 Pd1 Pb2 | 4 | [
1,
1,
1
] | 3 | [
[
5.52537617,
0,
0
],
[
0,
5.05558776,
0
],
[
0,
0,
5.52537617
]
] | agm001573919 | [
[
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[
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[
0,
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[
0,
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],
[
2.762688085,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Pb", "attached"... | [
"Pb",
"Pb",
"Hg",
"Pd",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
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0
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[
0,
-22.8106,
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],
[
0,
0,
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] | -17.448821 | [
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] | [
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0,
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[
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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
]
] | -0.000129 | 7.077125 | pbe | true | 0aa598ff9cdb21613928d76c9ead371b_123_Ta1Hg1Pd1Pb2 |
[
"Hg",
"Pb",
"Pd",
"Y"
] | 4 | ABCD | HgPbPdY | Y1 Hg1 Pd1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.07416858,
0,
0
],
[
2.53708429,
4.39435889,
0
],
[
2.53708429,
1.4647863,
4.1430413
]
] | agm001320754 | [
[
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[
2.53708429,
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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": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Pd", "attached"... | [
"Pb",
"Y",
"Hg",
"Pd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
5.5836325,
0,
0
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[
0,
5.5836325,
0
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[
0,
0,
5.5836325
]
] | -17.478891 | [
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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
]
] | -0.000002 | 2.638138 | pbe | true | f52ae6fa6b8f8d8da05f04fc60277937_216_Y1Hg1Pd1Pb1 |
[
"Hg",
"Pu",
"Tl",
"Zr"
] | 4 | ABCD | HgPuTlZr | Pu1 Zr1 Tl1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.21135262,
0,
0
],
[
2.60567631,
4.51316376,
0
],
[
2.60567631,
1.50438792,
4.2550516
]
] | agm001921357 | [
[
7.81702893,
4.51316376,
3.1912887
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[
2.60567631,
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1.0637629
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[
0,
0,
0
],
[
5.21135262,
3.00877584,
2.1275258
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Zr", "attached"... | [
"Tl",
"Hg",
"Zr",
"Pu"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
6.41458,
0,
0
],
[
0,
6.41458,
0
],
[
0,
0,
6.41458
]
] | -25.494297 | [
-0.014,
0.054,
0.66,
5.492
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 6.998274 | 10.067996 | pbe | true | 89eb2cd36b3aab1342d79b61b311e19c_216_Pu1Zr1Tl1Hg1 |
[
"Hg",
"Rb",
"S",
"Te"
] | 7 | A2B2C2D | Hg2Rb2STe2 | Rb2 Hg2 Te2 S1 | 4 | [
1,
1,
1
] | 3 | [
[
4.692583,
-0.00030443,
0.00047382
],
[
2.34616122,
7.66227833,
1.38610391
],
[
-0.00103914,
3.84303007,
7.96602521
]
] | agm004545306 | [
[
4.691628258262936,
9.949946492772577,
7.675238482162593
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[
2.3460768217370638,
1.5550574772274244,
1.6773644578374072
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[
4.691670423205972,
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[
2.3460346567940285,
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3.171904740597155
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[
... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Te", "attached": ... | [
"Rb",
"Rb",
"Hg",
"Hg",
"Te",
"Te",
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] | 2023-11-16 06:57:59 | [
0.2857142857142857,
0.2857142857142857,
0.14285714285714285,
0.2857142857142857
] | [
[
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[
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1.2099134,
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[
0.00610343,
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1.1579298
]
] | -17.157279 | [
0,
0,
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0,
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0
] | [
[
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[
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[
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[
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[
-0.00006132,
0.00346058,
-0.00140837
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[
0.00006132,
-0.00346058,... | -0.000002 | -0.054399 | pbe | true | 8a901baddb9454145621cc809ec9c58c_12_Rb2Hg2Te2S1 |
[
"Hg",
"Sc",
"Si",
"Sn"
] | 5 | A2BCD | Hg2ScSiSn | Sc1 Si1 Sn1 Hg2 | 4 | [
1,
1,
1
] | 3 | [
[
5.44011216,
0,
0
],
[
0,
5.07725055,
0
],
[
0,
0,
5.44011216
]
] | agm001562042 | [
[
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[
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[
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2.72005608
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[
2.72005608,
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0
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[
2.72005608,
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2.72005608
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Si",
"Hg",
"Hg",
"Sn"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
3.7513208,
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0
],
[
0,
4.7520747,
0
],
[
0,
0,
3.7513208
]
] | -13.845161 | [
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[
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 3.681234 | pbe | true | 31e6123bc8c9c08273e6ea07025983ad_123_Sc1Si1Sn1Hg2 |
[
"Ho",
"Li",
"Nd",
"Sn"
] | 7 | A2B2C2D | HoLi2Nd2Sn2 | Li2 Nd2 Ho1 Sn2 | 4 | [
1,
1,
1
] | 3 | [
[
4.7916048,
0,
0
],
[
2.3958024,
4.14965148,
0
],
[
2.3958024,
1.38321716,
9.16344277
]
] | agm004549878 | [
[
4.7916048,
2.76643432,
1.6637005576193342
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[
4.7916048,
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7.499742212380665
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[
2.395804771844376,
1.3832185293849883,
5.653974126708478
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[
7.187404828155624,
4.149650110615012,
3.509468643291521
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[
0,
0,
0
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[
7... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Nd", "attached"... | [
"Li",
"Li",
"Nd",
"Nd",
"Ho",
"Sn",
"Sn"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.2857142857142857,
0.2857142857142857,
0.2857142857142857
] | [
[
1.559668,
0,
0
],
[
0,
1.559668,
0
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[
0,
0,
1.4563822
]
] | -29.16166 | [
0,
0,
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0,
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0
] | [
[
0,
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[
0,
0,
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[
0,
0,
0.00030415
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[
0,
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[
0,
0,
0
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[
0,
0,
-0.00236629
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[
0,
0,
0.00236629
]
] | -0.000015 | 4.775127 | pbe | true | 1f3388fee3feb0d57e8c6e3ff514078d_166_Li2Nd2Ho1Sn2 |
[
"Ho",
"N",
"Pr",
"Rh"
] | 16 | A4B2CD | Ho2N4PrRh | Pr2 Ho4 Rh2 N8 | 4 | [
1,
1,
1
] | 3 | [
[
3.43372734,
0,
0
],
[
-1.71686367,
5.8819142,
0
],
[
0,
0,
11.52327968
]
] | agm004783304 | [
[
1.7168636713890508e-8,
1.339731890833022,
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[
1.7168636528313632,
4.542182309166978,
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[
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],
[
1.71686367,
1.5280096704284838,
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],
[
1.7168636... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Rh", "attached"... | [
"Pr",
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"Ho",
"Ho",
"Rh",
"Rh",
"N",
"N",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
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0.125,
0.125
] | [
[
0.6532112,
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0
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[
0,
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[
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[
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1
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[
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1,
1
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[
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1,
1
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