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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"B",
"Co",
"Ho"
] | 10 | A3BC | B3CoHo | Ho2 Co2 B6 | 3 | [
1,
1,
1
] | 3 | [
[
3.0449057,
0,
0
],
[
0,
4.54249977,
0
],
[
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0,
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] | agm003732666 | [
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[
1... | [{"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "B", "attached":... | [
"Ho",
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"Co",
"B",
"B",
"B",
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"B",
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] | 2023-11-16 06:57:59 | [
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[
0,
-0.002... | -0.000503 | 5.148873 | pbe | true | db605046dae746d101e7806b9ee1373f_63_Ho2Co2B6 |
[
"B",
"Co",
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] | 10 | A3BC | B3CoSc | Sc2 Co2 B6 | 3 | [
1,
1,
1
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[
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0,
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[
0,
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[
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] | agm005893603 | [
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... | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Sc", "attached": ... | [
"Sc",
"Sc",
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"Co",
"B",
"B",
"B",
"B",
"B",
"B"
] | 2023-11-16 06:57:59 | [
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[
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] | -72.685887 | [
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[
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0,
... | 0.9201 | 6.220447 | pbe | true | 1a781a4f84f112b6c49e6a0a25babc95_63_Sc2Co2B6 |
[
"B",
"Co",
"Tb"
] | 19 | A12B6C | B6Co12Tb | Tb1 Co12 B6 | 3 | [
1,
1,
1
] | 3 | [
[
5.95429085,
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[
-1.43979846,
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[
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] | agm003223923 | [
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0.72... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "B", "attached":... | [
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"Co",
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"Co",
"B",
"B",
"B",
"B",
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] | 2023-11-16 06:57:59 | [
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[
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[
0.00115417,
-0.000... | 6.814342 | 13.202213 | pbe | true | 34cd5687a9b06794f52da6a789d155a2_166_Tb1Co12B6 |
[
"B",
"Co",
"W"
] | 7 | A4B2C | BCo4W2 | Co4 B1 W2 | 3 | [
1,
1,
1
] | 3 | [
[
3.64489127,
0,
0
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[
0,
3.64489127,
0
],
[
1.82244563,
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] | agm001078445 | [
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[
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2.... | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "B", "attached": n... | [
"B",
"Co",
"Co",
"Co",
"Co",
"W",
"W"
] | 2023-11-16 06:57:59 | [
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[
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] | -58.674911 | [
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[
0,
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]
] | 0.00011 | 6.292667 | pbe | true | 4bfa78ffab73bea9643bfe8381012b7f_139_Co4B1W2 |
[
"B",
"Cr",
"Se"
] | 5 | A3BC | BCrSe3 | Cr1 B1 Se3 | 3 | [
1,
1,
1
] | 3 | [
[
4.79491144,
0,
0
],
[
0,
4.79491144,
0
],
[
0,
0,
4.79491144
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] | agm002404756 | [
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0,
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[
0,
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "B", "attached":... | [
"Cr",
"B",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
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0
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[
0,
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0
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[
0,
0,
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] | -21.683202 | [
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0.087,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.002456 | 5.005591 | pbe | true | 4bb0cdbdbf69915716c8ad8bd16973f0_221_Cr1B1Se3 |
[
"B",
"Cs",
"Ir"
] | 8 | A2BC | B2CsIr | Cs2 B4 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
6.45150235,
0,
0
],
[
0,
6.45150235,
0
],
[
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] | agm002793559 | [
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[
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3.426082912... | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Cs", "attached": ... | [
"Cs",
"Cs",
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"B",
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"B",
"Ir",
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] | 2023-11-16 06:57:59 | [
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] | -45.165253 | [
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[
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]
] | 0 | 4.99083 | pbe | true | f34da7240ba48b616190526b05c53452_227_Cs2B4Ir2 |
[
"B",
"Cs",
"Pb"
] | 12 | ABC | BCsPb | Cs4 B4 Pb4 | 3 | [
1,
1,
1
] | 3 | [
[
16.13958134,
0,
0
],
[
0,
3.32958198,
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[
0,
0,
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] | agm003037384 | [
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14.145345456987375,
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[
10.194461484736475,
... | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Cs", "attached": ... | [
"Pb",
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"Pb",
"Pb",
"Cs",
"Cs",
"Cs",
"Cs",
"B",
"B",
"B",
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] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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] | -41.234086 | [
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[
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0,
... | -0.000062 | 4.348933 | pbe | true | c218bb3a78b7984242b794a589038f9d_62_Cs4B4Pb4 |
[
"B",
"Cs",
"S"
] | 12 | A4BC | BCsS4 | Cs2 B2 S8 | 3 | [
1,
1,
1
] | 3 | [
[
8.34711975,
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[
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[
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] | agm005837210 | [
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[
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[... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Cs", "attached": nu... | [
"Cs",
"Cs",
"B",
"B",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
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] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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] | -53.905036 | [
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[
-0.00090231,
-0.0012... | -0 | 2.088564 | pbe | true | 5fdd0209ffa0d3f323b1cb4565c9406a_12_Cs2B2S8 |
[
"B",
"Dy",
"Tc"
] | 14 | A4B2C | B4DyTc2 | Dy2 Tc4 B8 | 3 | [
1,
1,
1
] | 3 | [
[
5.7028371,
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[
-0.12212036,
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-1.04309521,
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]
] | agm005936664 | [
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4.529067761429066
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[
1.4647225246245397,
1.8822438740097736,
0.026478585089593318
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... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "B", "attached":... | [
"B",
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"B",
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"B",
"Tc",
"Tc",
"Tc",
"Tc",
"Dy",
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] | 2023-11-16 06:57:59 | [
0.5714285714285714,
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] | [
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[
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] | -106.382667 | [
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[
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[
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-0.002860... | 0.000069 | 6.784198 | pbe | true | 06272c6517585b331d0746a1f2c8c1b4_15_Dy2Tc4B8 |
[
"B",
"Dy",
"Th"
] | 24 | A4BC | B4DyTh | Dy4 Th4 B16 | 3 | [
1,
1,
1
] | 3 | [
[
4.06719735,
0,
0
],
[
0,
6.26867122,
0
],
[
0,
0,
12.31445675
]
] | agm005832134 | [
[
0,
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1.070694480609445
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[
0,
2.2539590984800584,
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[
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[
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[
0,
3.9460742462972345,
4.24959341696615
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[
0,... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Th", "attached": ... | [
"Dy",
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"Th",
"Th",
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"Th",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
0.49029598,
0,
0
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[
0,
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0
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[
0,
0,
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] | -162.667763 | [
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] | [
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[
0,
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[
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[
0,
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[
0,
-0.00018754,
0.... | -0.000007 | 9.620002 | pbe | true | 28493896ef21793b4c2bd78d44f6c694_55_Dy4Th4B16 |
[
"B",
"Er",
"Pt"
] | 9 | A6B2C | BEr2Pt6 | B1 Er2 Pt6 | 3 | [
1,
1,
1
] | 3 | [
[
4.30117646,
0,
0
],
[
0,
4.30117646,
0
],
[
0,
0,
8.09543782
]
] | mp-1225050 | [
[
0,
0,
8.01951653740145
],
[
0,
0,
4.1236401925985495
],
[
2.15058823,
2.15058823,
2.023859455
],
[
2.15058823,
2.15058823,
8.00485893768456
],
[
2.15058823,
2.15058823,
4.138297792315441
],
[
2.15058823,
0,
2.023859455
]... | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pt", "attached": ... | [
"Er",
"Er",
"B",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2019-01-13 01:12:59 | [
0.1111111111111111,
0.2222222222222222,
0.6666666666666666
] | [
[
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0,
0
],
[
0,
-9.41733899,
0
],
[
0,
0,
-10.5701527
]
] | -60.82397 | [
0,
0,
0,
0,
0,
-0.001,
-0.001,
0.001,
0.001
] | [
[
0,
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[
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[
0,
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[
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[
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[
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0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 6.728012 | pbe | true | ea2599d840833a5e0ad953dbaf4937f2_123_Er2B1Pt6 |
[
"B",
"F",
"Fe"
] | 5 | A3BC | BFFe3 | Fe3 B1 F1 | 3 | [
1,
1,
1
] | 3 | [
[
4.07652861,
0,
0
],
[
0,
4.07652861,
0
],
[
0,
0,
4.07652861
]
] | agm002407452 | [
[
2.038264305,
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2.038264305
],
[
0,
2.038264305,
0
],
[
0,
0,
2.038264305
],
[
2.038264305,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "B", "attached": n... | [
"B",
"Fe",
"Fe",
"Fe",
"F"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
1.7737639,
0,
0
],
[
0,
1.7737639,
0
],
[
0,
0,
1.7737639
]
] | -20.532195 | [
-0.13,
3.504,
3.51,
3.263,
0.048
] | [
[
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
]
] | 9.897721 | 4.120509 | pbe | true | f8f5c38767bebe3ccf78eaf085e8a6c9_221_Fe3B1F1 |
[
"B",
"F",
"Ru"
] | 4 | A2BC | BF2Ru | B1 Ru1 F2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.83188253,
2.83188253
],
[
2.83188253,
0,
2.83188253
],
[
2.83188253,
2.83188253,
0
]
] | agm002638690 | [
[
2.83188253,
2.83188253,
2.83188253
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[
0,
0,
0
],
[
1.415941265,
1.415941265,
1.415941265
],
[
4.247823795,
4.247823795,
4.247823795
]
] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "B", "attached": n... | [
"Ru",
"B",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
2.9645824,
0,
0
],
[
0,
2.9645824,
0
],
[
0,
0,
2.9645824
]
] | -17.921968 | [
2.741,
-0.056,
0.128,
0.128
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.000002 | 0.633275 | pbe | true | 7660f2eda09e7e0d5de631fd22b14d6e_225_B1Ru1F2 |
[
"B",
"Fe",
"Pd"
] | 8 | A2BC | B2FePd | Fe2 B4 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
4.57777138,
0,
0
],
[
0,
4.57777138,
0
],
[
2.28888569,
2.28888569,
4.59662281
]
] | agm002796793 | [
[
3.2679833696377862,
1.144442845,
1.1491557025
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[
1.309788010362213,
3.4333285350000002,
1.1491557025
],
[
3.433328535,
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],
[
5.722214224999999,
5.556869059637786,
3.4474671075000005
],
[
2.28888569,
2.28... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pd", "attached": ... | [
"B",
"B",
"B",
"B",
"Fe",
"Fe",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
5.1360073,
0,
0
],
[
0,
5.1360073,
0
],
[
0,
0,
6.70337
]
] | -49.888042 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.0041996,
0,
0
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[
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[
0,
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0
],
[
0,
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0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 0.21735 | pbe | true | 1f5058053d3cd8cd689946009ae1a290_122_Fe2B4Pd2 |
[
"B",
"Fe",
"Sc"
] | 12 | A2BC | BFe2Sc | Sc3 Fe6 B3 | 3 | [
1,
1,
1
] | 3 | [
[
4.97893027,
0,
0
],
[
-2.48946513,
4.31183708,
0
],
[
0,
0,
7.00879559
]
] | agm002200774 | [
[
2.489465135,
0,
4.672530416695985
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[
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[
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[
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5.840768590853556
],
[
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0,
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[
1.24... | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sc", "attached": ... | [
"Sc",
"Sc",
"Sc",
"B",
"B",
"B",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
10.0343275,
0,
0
],
[
0,
10.104799,
0
],
[
0,
0,
14.3089485
]
] | -92.620679 | [
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-0.141,
-0.093,
-0.087,
-0.081,
1.778,
1.701,
1.654,
1.722,
1.67,
1.746
] | [
[
0,
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0
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[
0,
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0.00086707
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[
0,
0,
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[
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[
0,
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[
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[
-0.03925718,
-0.0201326,
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[
0,
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0
],
[
0... | 9.45764 | 13.083558 | pbe | true | 09df582d0a35463b5639197c695330f5_180_Sc3Fe6B3 |
[
"B",
"Fe",
"Tb"
] | 6 | ABC | BFeTb | Tb2 Fe2 B2 | 3 | [
1,
1,
1
] | 3 | [
[
3.54196802,
0,
0
],
[
0,
3.54196802,
0
],
[
0,
0,
7.70310057
]
] | agm005649910 | [
[
1.77098401,
0,
1.5210918296829816
],
[
0,
1.77098401,
6.182008740317019
],
[
1.77098401,
1.77098401,
3.851550285
],
[
0,
0,
3.851550285
],
[
1.77098401,
0,
4.86864241809293
],
[
0,
1.77098401,
2.8344581519070697
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "B", "attached":... | [
"Tb",
"Tb",
"Fe",
"Fe",
"B",
"B"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
4.4273834,
0,
0
],
[
0,
4.4273834,
0
],
[
0,
0,
3.9642842
]
] | -41.691978 | [
0.009,
0.009,
0.976,
0.976,
-0.053,
-0.053
] | [
[
0,
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0.0008279
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[
0,
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0.00451221
],
[
0,
0,
-0.00451221
]
] | 1.906373 | 5.402135 | pbe | true | cb91ca5d15a69a0b83932d98da4f5293_129_Tb2Fe2B2 |
[
"B",
"Ge",
"N"
] | 4 | A2BC | BGeN2 | Ge1 B1 N2 | 3 | [
1,
1,
1
] | 3 | [
[
1.83108917,
0,
4.93437455
],
[
-0.91554459,
1.58576974,
4.93437455
],
[
-0.91554459,
-1.58576974,
4.93437455
]
] | agm002755871 | [
[
-4.999999969612645e-9,
0,
7.401561825
],
[
0,
0,
0
],
[
-9.083400873274453e-9,
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13.446270520490891
],
[
-9.165991908509283e-10,
1.3056027077044519e-17,
1.3568531295091082
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "N", "attached": n... | [
"Ge",
"B",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.00410961,
0,
0
],
[
0,
0.00410961,
0
],
[
0,
0,
1.3656546
]
] | -27.738056 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0.00501891
],
[
0,
0,
-0.00501891
]
] | 0 | 1.108822 | pbe | true | cff7fc2f3d429778093a6cb7518c939c_166_Ge1B1N2 |
[
"B",
"Hf",
"Na"
] | 6 | ABC | BHfNa | Na2 Hf2 B2 | 3 | [
1,
1,
1
] | 3 | [
[
3.39760361,
0,
0
],
[
0,
10.9177642,
0
],
[
0,
0,
3.39751503
]
] | agm003038741 | [
[
0,
3.9338661967721062,
0
],
[
1.698801805,
6.983898003227894,
1.698757515
],
[
0,
1.311070959254126,
0
],
[
1.698801805,
9.606693240745875,
1.698757515
],
[
0,
9.816358748686168,
0
],
[
1.698801805,
1.101405451313832,
1.69... | [{"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": "B", "attached":... | [
"Na",
"Na",
"B",
"B",
"Hf",
"Hf"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
1.6153718,
0,
0
],
[
0,
0.08958738,
0
],
[
0,
0,
1.6135526
]
] | -36.07127 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
-0.01254398,
0
],
[
0,
0.01254398,
0
],
[
0,
0.01134174,
0
],
[
0,
-0.01134174,
0
],
[
0,
0.04168784,
0
],
[
0,
-0.04168784,
0
]
] | 0.000013 | 3.759149 | pbe | true | 1ac155be13f85d196f60da9c665b7daa_129_Na2Hf2B2 |
[
"B",
"In",
"Nb"
] | 4 | A2BC | B2InNb | Nb1 In1 B2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
2.97018405,
2.97018405
],
[
2.97018405,
0,
2.97018405
],
[
2.97018405,
2.97018405,
0
]
] | agm002640433 | [
[
0,
0,
0
],
[
1.485092025,
1.485092025,
1.485092025
],
[
4.455276075,
4.455276075,
4.455276075
],
[
2.97018405,
2.97018405,
2.97018405
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "In", "attached": ... | [
"Nb",
"B",
"B",
"In"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-1.2784052,
0,
0
],
[
0,
-1.2784052,
0
],
[
0,
0,
-1.2784052
]
] | -22.06499 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000001 | 3.03576 | pbe | true | 9b7dc3d3baf8af3f3b092398279e8111_225_Nb1In1B2 |
[
"B",
"Ir",
"Sm"
] | 11 | A5B4C2 | B4Ir5Sm2 | Sm2 B4 Ir5 | 3 | [
1,
1,
1
] | 3 | [
[
5.53843478,
0.00003004,
-0.00038551
],
[
2.76922963,
4.96874636,
-0.00045546
],
[
2.76882289,
-0.00027458,
5.70319739
]
] | agm002199986 | [
[
8.3073037918202,
3.403988130038804,
4.194623893147422
],
[
2.7692061326859996,
1.5645137397712225,
1.5077325252751428
],
[
5.538409159871992,
3.4045332438866045,
1.5075787985497617
],
[
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[
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[
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[
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[
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[
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1
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[
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0.00225646,... | 1.556713 | 5.308231 | pbe | true | 4b3ad6775404afeccc9ffcf9e13f13a2_5_Tb2Mn3B5 |
[
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1
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... | 0.00011 | 10.356978 | pbe | true | be51ec787a921308074b90d91f8f2644_55_Zr4Mn4B16 |
[
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1,
1
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[
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[
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1,
1
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... | 0.000002 | 1.338859 | pbe | true | fb95fdd7eb407a37958fd5459763f4bb_26_Ti2B4Mo2 |
[
"B",
"Mo",
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] | 8 | A2BC | BMo2V | V2 B2 Mo4 | 3 | [
1,
1,
1
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[
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0,
0
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[
0,
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[
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] | agm002797395 | [
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[
3.586376395,
3.5863763... | [{"mass": null, "name": "Mo", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mo"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "V", "attached": n... | [
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] | 0.000037 | 7.082871 | pbe | true | 740783a16f30f1a6c32033a7ffc220b8_122_V2B2Mo4 |
[
"B",
"Na",
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] | 4 | A2BC | BNa2Tl | Na2 Tl1 B1 | 3 | [
1,
1,
1
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[
0,
3.5070867,
3.5070867
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[
3.5070867,
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[
3.5070867,
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[
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[
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] | 0 | 2.480255 | pbe | true | 010f7b40bb73d62eb542265395f5b244_225_Na2Tl1B1 |
[
"B",
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] | 3 | ABC | BNaZr | Na1 Zr1 B1 | 3 | [
1,
1,
1
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[
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[
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[
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"Na",
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[
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[
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] | 0.237193 | 2.863383 | pbe | true | 8ddc7e2c346da298462e3aeb6aa6f04a_187_Na1Zr1B1 |
[
"B",
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] | 9 | A6B2C | BNb2Ru6 | Nb2 B1 Ru6 | 3 | [
1,
1,
1
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[
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0,
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[
2.81894004,
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... | -0.00001 | 7.493153 | pbe | true | ad633b256928c0fa61f9f8ff85688e52_225_Nb2B1Ru6 |
[
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] | 9 | A6B2C | BNd2Os6 | Nd2 B1 Os6 | 3 | [
1,
1,
1
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-0.0012... | 0.000184 | 15.751136 | pbe | true | a8a7ede211fdebf79511c93cd5cf6fec_225_Nd2B1Os6 |
[
"B",
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] | 12 | ABC | BNbV | Nb4 V4 B4 | 3 | [
1,
1,
1
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0,
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[
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[
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6.8135077811... | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "V", "attached": n... | [
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[
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... | -0.000017 | 6.369113 | pbe | true | 19473ec5ebf976ea5213ccdab982d0ae_12_Nb4V4B4 |
[
"B",
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] | 4 | A2BC | BNiP2 | Ni1 B1 P2 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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[
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[
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... | [{"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "P", "attached": n... | [
"Ni",
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0.25,
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[
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] | -23.028945 | [
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[
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] | 0 | 0.667234 | pbe | true | ee8f4eb77a43f87fd4d3549dbcac13cf_1_Ni1B1P2 |
[
"B",
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1,
1,
1
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[
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0
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[
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[
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[
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[
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3.72947... | [{"mass": null, "name": "Os", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Os"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "V", "attached": n... | [
"V",
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[
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[
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] | -48.84353 | [
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[
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[
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] | -0.000119 | 3.11915 | pbe | true | 40afff9b1863882291d0a17c9a59842b_187_V1B4Os1 |
[
"B",
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1,
1,
1
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[
... | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "P", "attached": n... | [
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] | 2023-11-16 06:57:59 | [
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[
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-0.0019... | 0 | 7.430349 | pbe | true | db92f38297dd892a6ff2e4bba9f8f6b5_15_B4P2Pt12 |
[
"B",
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"Y"
] | 10 | A2B2C | B2PdY2 | Y4 B4 Pd2 | 3 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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] | agm002959430 | [
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[
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6.... | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pd"]}, {"mass": null, "name": "Y", "attached": n... | [
"Y",
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[
0,
0.201892,
0
],
[
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1.6655667
]
] | -67.191852 | [
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0,
0,
0,
0,
0,
0
] | [
[
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[
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[
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0
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[
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[
0.02279786,
0.022... | 0 | 6.793593 | pbe | true | 1b81d2b11499e38bdc0845c03515f504_127_Y4B4Pd2 |
[
"B",
"Pm",
"Re"
] | 10 | A3BC | B3PmRe | Pm2 Re2 B6 | 3 | [
1,
1,
1
] | 3 | [
[
4.70468737,
0,
0.12961401
],
[
2.35234369,
5.40269266,
0.06480701
],
[
1.61781226,
0,
5.76925092
]
] | agm003731052 | [
[
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1.8769751738276614,
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[
2.756794400919241,
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1.507119735180873
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5.20725263020927,
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[
... | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Pm", "attached": ... | [
"Pm",
"Pm",
"Re",
"Re",
"B",
"B",
"B",
"B",
"B",
"B"
] | 2023-11-16 06:57:59 | [
0.6,
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0.2
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[
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[
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] | -75.040388 | [
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[
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[
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[
0.00136757,
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-0.0019128... | -0.000005 | 3.013606 | pbe | true | f4a421ac29b2c60d5f3ce8931840ca16_15_Pm2Re2B6 |
[
"B",
"Pu",
"Tc"
] | 6 | ABC | BPuTc | Pu2 Tc2 B2 | 3 | [
1,
1,
1
] | 3 | [
[
3.50763304,
0,
0
],
[
-1.75381652,
2.95260942,
0.72540687
],
[
0,
0.08393686,
8.16012593
]
] | agm001026546 | [
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0.0000017362783547600755,
0.7714652617973989,
1.106360680747453
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[
1.7538147837216456,
2.265081018202601,
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3.9236720192409007
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[
1.7538182562783549,
0.8685956957148286,
4.961860780... | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Pu", "attached": ... | [
"Tc",
"Tc",
"Pu",
"Pu",
"B",
"B"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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[
0,
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[
0,
0.11822065,
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]
] | -63.14134 | [
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[
0,
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[
0,
0.00192538,
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]
] | 0.000057 | 6.173432 | pbe | true | 3fef2c8a1c29e67f6aa74d3686691e17_166_Pu2Tc2B2 |
[
"B",
"Rh",
"Sr"
] | 3 | ABC | BRhSr | Sr1 B1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
4.79788711,
0,
0
],
[
0,
3.66311763,
0
],
[
0,
-1.83155882,
3.17235293
]
] | agm001264695 | [
[
3.1984451350816396,
1.8315588316489213,
1.057450966092157
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[
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0,
0
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[
0.7995145343768367,
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] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Sr",
"B",
"Rh"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
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0.3333333333333333
] | [
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[
0,
3.4108517,
0
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[
0,
0,
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]
] | -16.583431 | [
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[
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0
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[
-0.00116752,
0,
0
],
[
0.00080088,
0,
0
]
] | 0.000002 | 1.434198 | pbe | true | 9256ecd34b517d243a512de6acac8059_187_Sr1B1Rh1 |
[
"B",
"Re",
"Rh"
] | 8 | A2BC | BRe2Rh | Re4 B2 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
3.79620219,
0,
0
],
[
0,
3.79620219,
0
],
[
1.8981011,
1.8981011,
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]
] | agm002797254 | [
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2.624986806680805,
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[
4.74525274125,
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[
1.898101095,
1.8... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "B", "attached":... | [
"Re",
"Re",
"Re",
"Re",
"B",
"B",
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"Rh"
] | 2023-11-16 06:57:59 | [
0.25,
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[
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0
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[
0,
3.425494,
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[
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] | -71.325023 | [
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[
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[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0 | 3.086762 | pbe | true | 7fe5b8e623ee1c447d50c2719c6b5960_122_Re4B2Rh2 |
[
"B",
"Re",
"Tc"
] | 4 | A2BC | BReTc2 | Re1 Tc2 B1 | 3 | [
1,
1,
1
] | 3 | [
[
2.87940131,
0,
0
],
[
1.43970065,
2.49363468,
0
],
[
1.43970065,
0.83121156,
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]
] | agm001980436 | [
[
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3.56537126
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[
0,
0,
0
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[
4.319100531988492,
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],
[
1.439702078011508,
0.8312123828994444,
1.3380240069482572
]
] | [{"mass": null, "name": "Tc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tc"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "B", "attached":... | [
"Re",
"B",
"Tc",
"Tc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0
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[
0,
0.19029061,
0
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[
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]
] | -39.869825 | [
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[
0,
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0
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[
0,
0,
0.00462726
],
[
0,
0,
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]
] | 0 | 3.364565 | pbe | true | 2fec44351a5229e72c8ee8e22eb1f838_166_Re1Tc2B1 |
[
"B",
"Re",
"Yb"
] | 24 | A4BC | B4ReYb | Yb4 Re4 B16 | 3 | [
1,
1,
1
] | 3 | [
[
3.54927665,
0,
0
],
[
0,
5.9892551,
0
],
[
0,
0,
11.58030449
]
] | agm005263176 | [
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[
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[
1.774638325,
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[
1.774638325,
2.206... | [{"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Yb", "attached": ... | [
"Yb",
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"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
"B",
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] | 2023-11-16 06:57:59 | [
0.6666666666666666,
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[
0,
3.0853646,
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[
0,
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3.3233263
]
] | -174.851087 | [
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0,
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0,
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] | [
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[
0,
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[
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0.00436674,
-0.... | -0.137153 | 33.605934 | pbe | true | ef764cde50c59accea33d1ad903843be_55_Yb4Re4B16 |
[
"B",
"Rh",
"Y"
] | 4 | A2BC | BRh2Y | Y1 B1 Rh2 | 3 | [
1,
1,
1
] | 3 | [
[
4.16663073,
1e-8,
0
],
[
-2.08331485,
3.60840856,
0
],
[
0,
0,
4.80067502
]
] | agm005705839 | [
[
0,
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[
0,
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[
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2.40560691280285,
0
],
[
2.08331761998186,
1.20280165719715,
0
]
] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Y", "attached": n... | [
"Y",
"B",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
6.2303147,
8.9e-7,
0
],
[
8.9e-7,
6.2303166,
0
],
[
0,
0,
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]
] | -27.960322 | [
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0,
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] | [
[
0,
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000018 | 5.186561 | pbe | true | f499cf025d30d50bd331ad2697b4b905_191_Y1B1Rh2 |
[
"B",
"Sb",
"Zr"
] | 4 | A2BC | BSbZr2 | Zr2 B1 Sb1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.36019522,
3.36019522
],
[
3.36019522,
0,
3.36019522
],
[
3.36019522,
3.36019522,
0
]
] | agm002639683 | [
[
3.36019522,
3.36019522,
3.36019522
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[
0,
0,
0
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[
1.68009761,
1.68009761,
1.68009761
],
[
5.04029283,
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5.04029283
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "B", "attached":... | [
"Sb",
"B",
"Zr",
"Zr"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.6874443,
0,
0
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[
0,
0.6874443,
0
],
[
0,
0,
0.6874443
]
] | -27.074229 | [
0,
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0
] | [
[
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0 | 5.177716 | pbe | true | f75f34d19827895b91b9b8481a68cb24_225_Zr2B1Sb1 |
[
"B",
"Sc",
"Sn"
] | 5 | A3BC | B3ScSn | Sc1 Sn1 B3 | 3 | [
1,
1,
1
] | 3 | [
[
4.40845604,
0,
0
],
[
0,
4.40845604,
0
],
[
0,
0,
4.40845604
]
] | agm002404437 | [
[
2.20422802,
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2.20422802
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[
0,
2.20422802,
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],
[
0,
0,
2.20422802
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[
2.20422802,
0,
0
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[
0,
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] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Sc", "attached": ... | [
"Sc",
"B",
"B",
"B",
"Sn"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
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0,
0
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[
0,
0.88309246,
0
],
[
0,
0,
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] | -21.794878 | [
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] | [
[
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[
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 3.308193 | pbe | true | 2508bc3bdccd8a563128730a42c32964_221_Sc1Sn1B3 |
[
"B",
"Sr",
"Zn"
] | 4 | A2BC | BSr2Zn | B1 Sr2 Zn1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.602013768,
3.602013768
],
[
3.602013768,
0,
3.602013768
],
[
3.602013768,
3.602013768,
0
]
] | oqmd-4975656 | [
[
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5.40302,
5.40302
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[
0,
0,
0
],
[
1.8010100000000009,
1.8010100000000009,
1.8010100000000009
],
[
3.6020099999999986,
3.6020099999999986,
3.6020099999999986
]
] | [{"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Sr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sr"]}, {"mass": null, "name": "Zn", "attached": ... | [
"B",
"Sr",
"Sr",
"Zn"
] | 2024-11-01 00:00:00 | [
0.25,
0.5,
0.25
] | [
[
4.79493282,
0,
0
],
[
0,
4.79493282,
0
],
[
0,
0,
4.79493282
]
] | -8.12431 | [
0,
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0,
0
] | [
[
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | null | null | pbe | true | 15c6b235213fbd175f0e52bdfaa1cf46_216_Sr2Zn1B1 |
[
"B",
"Sm",
"W"
] | 26 | A10B2C | B10Sm2W | Sm4 B20 W2 | 3 | [
1,
1,
1
] | 3 | [
[
4.13510307,
0,
0
],
[
0,
5.86815303,
0
],
[
0,
0,
11.67311068
]
] | agm005730688 | [
[
2.067551535,
1.7395561057546243,
10.017454909971095
],
[
2.067551535,
4.128596924245376,
1.655655770028907
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[
2.067551535,
4.673632620754624,
7.492211110028907
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[
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[
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0.68900067919555... | [{"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "B", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["B"]}, {"mass": null, "name": "Sm", "attached": nu... | [
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... | 0.000851 | 5.333411 | pbe | true | c9b8acf9247c0b20691aeedb0fd718cd_55_Sm4B20W2 |
[
"B",
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] | 6 | A4BC | B4TaW | Ta1 B4 W1 | 3 | [
1,
1,
1
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[... | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "B", "attached": n... | [
"Ta",
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[
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] | 0.000003 | 2.694878 | pbe | true | f51987d7b92dea664a59ec89490bfe10_47_Ta1B4W1 |
[
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] | 16 | A2BC | Ba2BiI | Ba8 Bi4 I4 | 3 | [
1,
1,
1
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[
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] | 2023-11-16 06:57:59 | [
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0.0018... | -0.000001 | -0.057857 | pbe | true | 43f7e49127a113227636d8934ebc4181_57_Ba8Bi4I4 |
[
"Ba",
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] | 11 | A6B4C | BaBr6Tl4 | Ba1 Tl4 Br6 | 3 | [
1,
1,
1
] | 3 | [
[
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... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Br", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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[
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0.0... | 0 | 0 | pbe | true | 25f3098e2c7390089b126f59d4bcedce_8_Ba1Tl4Br6 |
[
"Ba",
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] | 4 | A2BC | BaCa2Cl | Ba1 Ca2 Cl1 | 3 | [
1,
1,
1
] | 3 | [
[
3.78407138,
0,
0
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[
0,
3.78407138,
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[
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"Ca",
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] | 2023-11-16 06:57:59 | [
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] | -10.290018 | [
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] | -0.000014 | 3.628184 | pbe | true | 0377980f1d773dfdc5189659adf76883_123_Ba1Ca2Cl1 |
[
"Ba",
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] | 80 | A12B5C3 | Ba12Ca3F5 | Ba48 Ca12 F20 | 3 | [
1,
1,
1
] | 3 | [
[
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[
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... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Ca", "attached": ... | [
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... | 2023-11-16 06:57:59 | [
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[
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],... | -0.017689 | 115.34219 | pbe | true | 39107211fe3b938005da2b85a36c1891_230_Ba48Ca12F20 |
[
"Ba",
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] | 14 | A4B2C | Ba4CaNa2 | Ba8 Na4 Ca2 | 3 | [
1,
1,
1
] | 3 | [
[
12.98691426,
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[
0.00000262,
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[
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] | agm005899555 | [
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... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ca", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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] | -22.800595 | [
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[
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... | 0.000003 | 18.775572 | pbe | true | d9c4658f4a0c6d3ea72cf12fb6b1e4f9_69_Ba8Na4Ca2 |
[
"Ba",
"Ca",
"Pd"
] | 20 | A3BC | BaCa3Pd | Ba4 Ca12 Pd4 | 3 | [
1,
1,
1
] | 3 | [
[
25.11310029,
0,
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[
0,
7.20059599,
0
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[
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5.04061601
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] | agm003053080 | [
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3.978350207366438
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[
16.117664283161037,
2.826640903760355,
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... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ca", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ca"]}, {"mass": null, "name": "Pd", "attached"... | [
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] | 2023-11-16 06:57:59 | [
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[
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[
0.00735001,
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[
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-0.000... | 0 | 18.251478 | pbe | true | 8e770c693e9c368ba093245dc2109780_14_Ba4Ca12Pd4 |
[
"Ba",
"Cd",
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] | 4 | A2BC | BaCd2Ti | Ba1 Ti1 Cd2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.85753535,
3.85753535
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[
3.85753535,
0,
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[
3.85753535,
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] | agm002745231 | [
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[
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[
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Cd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cd"]}, {"mass": null, "name": "Ti", "attached"... | [
"Ti",
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"Cd"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.9495276,
0,
0
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[
0,
1.9495276,
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[
0,
0,
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] | -10.689988 | [
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[
0,
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0
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[
0,
0,
0
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[
0,
0,
0
]
] | 2.056506 | 4.772231 | pbe | true | f71cd82ee73a7622d5e6ea737a90975b_225_Ba1Ti1Cd2 |
[
"Ba",
"Co",
"Te"
] | 4 | A2BC | BaCoTe2 | Ba1 Co1 Te2 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.90487335,
3.90487335
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[
3.90487335,
0,
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[
3.90487335,
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0
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] | agm002664231 | [
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],
[
3.90487335,
3.90487335,
3.90487335
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Co", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Co"]}, {"mass": null, "name": "Te", "attached"... | [
"Te",
"Te",
"Co",
"Ba"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
0.6168688,
0,
0
],
[
0,
0.6168688,
0
],
[
0,
0,
0.6168688
]
] | -15.953527 | [
0.178,
0.178,
2.16,
0.041
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
]
] | 2.79558 | 3.003187 | pbe | true | 9d19898ce10526b88a517e0ef144665b_225_Ba1Co1Te2 |
[
"Ba",
"Cu",
"Sc"
] | 4 | A2BC | BaCuSc2 | Ba1 Sc2 Cu1 | 3 | [
1,
1,
1
] | 3 | [
[
6.37153716,
0.04985304,
-2e-8
],
[
3.22748427,
5.49384349,
-2e-8
],
[
-4.79950918,
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3.14333327
]
] | agm004425511 | [
[
1.6137429024999999,
2.746922187499999,
1.5716666149999998
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[
3.1857693475000004,
0.024926962499999927,
1.5716666149999998
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[
0,
0,
0
],
[
4.799510715,
2.771848265,
-2e-8
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Cu", "attached"... | [
"Ba",
"Cu",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
-1.3465956,
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-6.3e-7
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[
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[
-6.3e-7,
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-1.3031152
]
] | -16.842719 | [
0.026,
0.005,
0.313,
0.313
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.980472 | 5.690594 | pbe | true | 2d01e69928d2f92ff7ef1bb947d9ac0e_139_Ba1Sc2Cu1 |
[
"Ba",
"Cu",
"Se"
] | 10 | A2B2C | Ba2CuSe2 | Ba4 Cu2 Se4 | 3 | [
1,
1,
1
] | 3 | [
[
8.59971537,
0,
0
],
[
0,
8.59971537,
0
],
[
0,
0,
4.29017967
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] | agm002974633 | [
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0,
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0
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4.299857685,
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0
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[
1.3262640138348345,
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[
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2.145089835
],
[
2.97359367116516... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Cu", "attached"... | [
"Cu",
"Cu",
"Ba",
"Ba",
"Ba",
"Ba",
"Se",
"Se",
"Se",
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] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.4
] | [
[
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0,
0
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[
0,
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0
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[
0,
0,
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] | -40.891146 | [
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0,
0,
0,
0,
-0.002,
0.002,
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0.002
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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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0.00037696,
0
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[
0.00412623,
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0
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[
0.00412623,
... | 0 | 3.641881 | pbe | true | 2d124be8901b9b369fde8b69d06469c9_127_Ba4Cu2Se4 |
[
"Ba",
"Dy",
"In"
] | 6 | A4BC | BaDyIn4 | Ba1 Dy1 In4 | 3 | [
1,
1,
1
] | 3 | [
[
6.22818512,
0,
0
],
[
3.11409256,
5.39376653,
0
],
[
3.11409256,
1.79792218,
5.08529185
]
] | agm001176747 | [
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6.228188265233486,
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[
6.228188265233486,
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[
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[
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Dy", "attached"... | [
"In",
"In",
"In",
"In",
"Ba",
"Dy"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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0.6666666666666666
] | [
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2.7612529,
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0
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[
0,
2.7612529,
0
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[
0,
0,
2.7612529
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] | -19.323937 | [
0,
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0,
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[
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[
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[
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[
0,
0,
0
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[
0,
0,
0
]
] | -0.000014 | 3.827093 | pbe | true | b5724c1fd26317ac1b7043b5aa29b0cd_216_Ba1Dy1In4 |
[
"Ba",
"Er",
"Tl"
] | 4 | A2BC | BaEr2Tl | Ba1 Er2 Tl1 | 3 | [
1,
1,
1
] | 3 | [
[
3.67151581,
0,
0
],
[
1.8357579,
3.17962596,
0
],
[
1.8357579,
1.05987532,
12.02743431
]
] | agm002008031 | [
[
3.671515805,
2.11975064,
6.013717155
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[
0,
0,
0
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[
1.8357597367629517,
1.05987637987532,
8.400987986640132
],
[
5.507271873237047,
3.17962490012468,
3.6264463233598674
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Er", "attached"... | [
"Tl",
"Ba",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.0181252,
0,
0
],
[
0,
1.0181252,
0
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[
0,
0,
0.9712847
]
] | -12.82235 | [
-0.001,
0.094,
0.018,
0.018
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0.00424723
],
[
0,
0,
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]
] | 0.256549 | 5.543352 | pbe | true | 8ab628af5c0082f2a80d29b1c5872640_166_Ba1Er2Tl1 |
[
"Ba",
"Ga",
"Mg"
] | 32 | A3B3C2 | Ba3Ga3Mg2 | Ba12 Mg8 Ga12 | 3 | [
1,
1,
1
] | 3 | [
[
7.28707759,
0,
0
],
[
0,
8.64819984,
0
],
[
0,
0,
16.93835964
]
] | agm005576044 | [
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1.0515462101496833,
4.6635645949675775,
6.630317281995128
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[
4.695085005149683,
8.308735165032424,
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15.099497101995128
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[
2.5919925848503165,
0.3394646749675776,
1.8388625380048729
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... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Ga", "attached"... | [
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"Ga",
"Ga",
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"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga",
"Ga"
] | 2023-11-16 06:57:59 | [
0.375,
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0.25
] | [
[
1.3514848,
0,
0
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[
0,
1.2095889,
0
],
[
0,
0,
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] | -80.204115 | [
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[
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[
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[
-0.0009276,
0.00198937,... | -0.000001 | 33.8326 | pbe | true | dd79bc6aed9360cce49ec29aa02a55e9_62_Ba12Mg8Ga12 |
[
"Ba",
"Hf",
"O"
] | 16 | A2BC | Ba2HfO | Ba8 Hf4 O4 | 3 | [
1,
1,
1
] | 3 | [
[
9.87933615,
0,
-0.00296128
],
[
0,
5.76610485,
0
],
[
-0.16733152,
0,
9.64800338
]
] | agm002115703 | [
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4.7560534184316525,
2.830959588631548,
1.582726348204862
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[
4.9559512115683475,
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6.406728038204863
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[
5.039616971568347,
5.714012013631548,
3.2383140617951383
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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": "Ba", "attached": ... | [
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"Ba",
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"Ba",
"Ba",
"Ba",
"Ba",
"O",
"O",
"O",
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] | 2023-11-16 06:57:59 | [
0.5,
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0.25
] | [
[
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[
0,
0.12492788,
0
],
[
0.00685216,
0,
0.05120774
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] | -91.457397 | [
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0,
0,
0,
0,
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] | [
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[
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[
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0.00053026
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[
0.00040492,
-0.00037... | 0.000297 | 17.412075 | pbe | true | 4c83a1a547841820775a32c2125c308f_5_Ba8Hf4O4 |
[
"Ba",
"Hg",
"Mg"
] | 24 | A4BC | BaHg4Mg | Ba4 Mg4 Hg16 | 3 | [
1,
1,
1
] | 3 | [
[
9.21120283,
-0.12535742,
-4.04883847
],
[
-5.00991126,
7.98307707,
-1.66206645
],
[
-0.35457711,
0.28726453,
9.47058231
]
] | agm005832443 | [
[
2.237092243183994,
1.561286701465451,
4.799751899693099
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[
1.6096222168160055,
6.58369747853455,
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[
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7.216253120277751
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[
7.352201143109127,
1.0583280705280136,
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[
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Mg", "attached"... | [
"Ba",
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"Hg",
"Hg",
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"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
"Hg",
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] | 2023-11-16 06:57:59 | [
0.16666666666666666,
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] | [
[
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[
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[
0.01838096,
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] | -26.214889 | [
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[
-0.00525962,
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[
0.01687936,
0.007380... | -0 | 10.952334 | pbe | true | 62db7ce6e5cf4ea65cfaa786790b5f3d_2_Ba4Mg4Hg16 |
[
"Ba",
"Hg",
"Ru"
] | 5 | A3BC | BaHg3Ru | Ba1 Hg3 Ru1 | 3 | [
1,
1,
1
] | 3 | [
[
5.30078759,
0,
0
],
[
0,
5.30078759,
0
],
[
0,
0,
5.30078759
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] | agm002579787 | [
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[
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[
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],
[
2.650393795,
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] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ru", "attached"... | [
"Ru",
"Hg",
"Hg",
"Hg",
"Ba"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
3.0373292,
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0
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[
0,
3.0373292,
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[
0,
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] | -12.440977 | [
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[
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[
0,
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[
0,
0,
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[
0,
0,
0
]
] | 0 | 3.099103 | pbe | true | b3d81e3f1543a477f8e32a9ef47f50fd_221_Ba1Hg3Ru1 |
[
"Ba",
"In",
"Pd"
] | 28 | A9B3C2 | Ba2In9Pd3 | Ba4 In18 Pd6 | 3 | [
1,
1,
1
] | 3 | [
[
7.93015091,
-0.04368847,
-3.30680518
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[
-4.67763324,
7.20718931,
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[
0.35937591,
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11.85415247
]
] | agm005629840 | [
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1.761497756563166,
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[
1.8503958234368347,
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[
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[
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],
[
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Pd", "attached"... | [
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"Pd",
"Pd",
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] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.6428571428571429,
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] | [
[
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[
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[
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] | -100.299251 | [
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] | [
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0.00155944,
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0.00055659
],
[
-0.00131278,
-0.00048325,
-0.00363006
],
[
0.00131278,
0.000... | 0 | 7.551507 | pbe | true | 9688e7b87caec35f7761122c50dfd83c_15_Ba4In18Pd6 |
[
"Ba",
"Ir",
"Na"
] | 12 | A7B3C2 | Ba7Ir2Na3 | Ba7 Na3 Ir2 | 3 | [
1,
1,
1
] | 3 | [
[
6.22866682,
0,
0
],
[
0,
6.1104345,
-1.33391239
],
[
0,
0.21112322,
15.62952453
]
] | agm005630425 | [
[
0,
2.6073588258118345,
11.943881687921806
],
[
0,
5.023736522446049,
8.350506890121224
],
[
0,
0,
0
],
[
0,
3.714198894188166,
2.351730452078194
],
[
3.11433341,
0.65045492771804,
2.979627161691043
],
[
3.11433341,
5.671102792... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Ir", "attached"... | [
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Na",
"Na",
"Na",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.5833333333333334,
0.16666666666666666,
0.25
] | [
[
0.3774453,
0,
0
],
[
0,
0.25807196,
-0.0168684
],
[
0,
-0.0168684,
0.18448293
]
] | -36.298468 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0.0003594,
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],
[
0,
0.00120222,
0.00550718
],
[
0,
0,
0
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[
0,
-0.0003594,
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],
[
0,
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],
[
0,
-0.00016421,
-0.00075222
],
[
0,
-0.00120222,
-0.00550718
],
[... | 0.000001 | 10.201258 | pbe | true | 2c7016c059d431fced639b39ebad82f2_65_Ba7Na3Ir2 |
[
"Ba",
"Ir",
"Re"
] | 3 | ABC | BaIrRe | Ba1 Re1 Ir1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.29139003,
3.29139003
],
[
3.29139003,
0,
3.29139003
],
[
3.29139003,
3.29139003,
0
]
] | agm003041334 | [
[
0,
0,
0
],
[
1.645695015,
1.645695015,
1.645695015
],
[
4.937085045,
4.937085045,
4.937085045
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Ir", "attached"... | [
"Re",
"Ir",
"Ba"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.3333333333333333
] | [
[
5.091539,
0,
0
],
[
0,
5.091539,
0
],
[
0,
0,
5.091539
]
] | -19.082278 | [
0.001,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000942 | 7.033932 | pbe | true | 1a7bef0ba6517fe25169f08bfea204c8_216_Ba1Re1Ir1 |
[
"Ba",
"La",
"Zn"
] | 6 | A4BC | BaLaZn4 | Ba1 La1 Zn4 | 3 | [
1,
1,
1
] | 3 | [
[
3.88229239,
-0.00148463,
0.00026799
],
[
0.00177911,
4.67829173,
-0.00013484
],
[
-0.00057594,
0.00021601,
8.41048207
]
] | agm005782419 | [
[
3.878129366151572,
4.664215301949491,
4.189730664399715
],
[
3.8761780667413612,
2.325187093786526,
8.395013834270738
],
[
1.9377459215212005,
4.664845550644509,
1.2918461051572947
],
[
1.937120036197925,
4.665092730046627,
7.087322063620367
],
[
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Zn", "attached"... | [
"Ba",
"La",
"Zn",
"Zn",
"Zn",
"Zn"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
[
5.814158,
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0.00040825
],
[
-0.00195144,
0.7151348,
-0.00002336
],
[
0.00040825,
-0.00002336,
-0.10089902
]
] | -13.355549 | [
0,
0,
0,
0,
0,
0
] | [
[
0.00255605,
-9.8e-7,
1.8e-7
],
[
0.00335504,
-0.00000128,
2.3e-7
],
[
-0.00143964,
5.2e-7,
-0.00113907
],
[
-0.0014398,
5.8e-7,
0.00113887
],
[
-0.00151775,
0.0000013,
0.02812255
],
[
-0.0015139,
-1.4e-7,
-0.02812276
]
] | 0.00001 | 5.638415 | pbe | true | 3edaa9e668901984de3a49e9a458fa32_47_Ba1La1Zn4 |
[
"Ba",
"Mo",
"Ta"
] | 5 | A3BC | Ba3MoTa | Ba3 Ta1 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
5.88131514,
0,
0
],
[
0,
5.88131514,
0
],
[
0,
0,
5.88131514
]
] | agm002531012 | [
[
0,
0,
0
],
[
0,
2.94065757,
0
],
[
0,
0,
2.94065757
],
[
2.94065757,
0,
0
],
[
2.94065757,
2.94065757,
2.94065757
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Mo", "attached"... | [
"Mo",
"Ba",
"Ba",
"Ba",
"Ta"
] | 2023-11-16 06:57:59 | [
0.6,
0.2,
0.2
] | [
[
1.5751973,
0,
0
],
[
0,
1.5751973,
0
],
[
0,
0,
1.5751973
]
] | -20.246719 | [
0.128,
0.068,
0.076,
0.072,
2.299
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 4.909742 | 7.90711 | pbe | true | 29f0a3b6823435d3152170533d36626e_221_Ba3Ta1Mo1 |
[
"Ba",
"Mo",
"Tl"
] | 4 | A2BC | Ba2MoTl | Ba2 Tl1 Mo1 | 3 | [
1,
1,
1
] | 3 | [
[
5.83117629,
0.35062498,
0
],
[
-0.34781675,
5.83134447,
0
],
[
0,
0,
4.31033891
]
] | agm004365969 | [
[
0,
0,
0
],
[
2.74167977,
3.090984725,
0
],
[
2.915588145,
0.17531249,
2.155169455
],
[
-0.173908375,
2.915672235,
2.155169455
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Mo", "attached"... | [
"Ba",
"Ba",
"Mo",
"Tl"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
1.7465615,
-0.02656347,
0
],
[
-0.02656347,
1.7401752,
0
],
[
0,
0,
1.4799756
]
] | -14.515836 | [
0.011,
0.011,
3.197,
-0.035
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.881071 | 3.201717 | pbe | true | ad945bb39b3b5cab94b7793241502096_123_Ba2Tl1Mo1 |
[
"Ba",
"N",
"P"
] | 6 | A4BC | Ba4NP | Ba4 P1 N1 | 3 | [
1,
1,
1
] | 3 | [
[
4.34307764,
0,
0
],
[
0,
7.81429761,
0.25942796
],
[
0,
-0.09252733,
7.63565022
]
] | agm003737444 | [
[
2.17153882,
1.4697617083627526,
6.545263932057061
],
[
2.17153882,
6.252008571637248,
1.349814247942939
],
[
0,
1.6184682834996298,
2.3014762095672134
],
[
0,
6.10330199650037,
5.593601970432785
],
[
2.17153882,
-0.046263665,
3.81782511
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "P", "attached": n... | [
"Ba",
"Ba",
"Ba",
"Ba",
"P",
"N"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
] | [
[
0.20871112,
0,
0
],
[
0,
0.17175935,
0.05193725
],
[
0,
0.05193725,
0.1512865
]
] | -24.814288 | [
0.001,
0.001,
0.009,
0.009,
0.001,
0.002
] | [
[
0,
-0.00087519,
0.00084551
],
[
0,
0.00087519,
-0.00084551
],
[
0,
0.00018211,
-0.00188066
],
[
0,
-0.00018211,
0.00188066
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.163246 | 3.402338 | pbe | true | e10eb0a3e230b7441fe7f85fde84a4df_10_Ba4P1N1 |
[
"Ba",
"N",
"W"
] | 10 | A3BC | BaN3W | Ba2 W2 N6 | 3 | [
1,
1,
1
] | 3 | [
[
5.95404687,
-0.00228933,
0.00340812
],
[
-3.04330639,
5.94503169,
-0.0014137
],
[
2.67587204,
1.96147191,
4.95601334
]
] | agm003103982 | [
[
6.405437622799002,
4.053000156859077,
3.9749276318045768
],
[
3.5814245166692644,
5.667615783705338,
1.5701871933762246
],
[
3.6753910819964544,
2.187426589927617,
2.800523294046407
],
[
0.5949198159746755,
3.056416680284926,
0.4536518993521854
],
[
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "W", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["W"]}, {"mass": null, "name": "N", "attached": n... | [
"Ba",
"Ba",
"W",
"W",
"N",
"N",
"N",
"N",
"N",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
] | [
[
0.51265025,
0.08550978,
-0.04639011
],
[
0.08550977,
0.5979549,
0.02007583
],
[
-0.04639007,
0.02007563,
0.44239613
]
] | -85.19995 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
-0.00420318,
-0.00360328,
0.00027394
],
[
0.0014154,
0.00774449,
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],
[
0.006845,
0.0097852,
-0.01022639
],
[
0.01210698,
0.00468048,
-0.01478197
],
[
-0.00185176,
0.00059994,
0.0061838
],
[
0.0055393,
0.01167011,
... | 0 | 0 | pbe | true | eab53a4e022058cb9188aa2add50f2a7_1_Ba2W2N6 |
[
"Ba",
"Nb",
"Se"
] | 20 | A6B3C | Ba3NbSe6 | Ba6 Nb2 Se12 | 3 | [
1,
1,
1
] | 3 | [
[
7.58172644,
0,
-0.25921669
],
[
0,
8.09290441,
0
],
[
-0.28315022,
0,
10.86198398
]
] | agm003580013 | [
[
3.8381358356500264,
7.374368851131313,
7.8971167844540515
],
[
3.79086322,
4.046452205,
-0.129608345
],
[
3.460440384349974,
0.7185355588686867,
2.705650505545948
],
[
0.18884772565002603,
4.764987763868686,
2.5957331394540515
],
[
-0.14157511,
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Se", "attached"... | [
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Ba",
"Nb",
"Nb",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.3,
0.1,
0.6
] | [
[
1.3323325,
0,
-0.0281158
],
[
0,
1.2193811,
0
],
[
-0.02811576,
0,
1.315586
]
] | -100.144833 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00047916,
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0.00083182
],
[
0,
0,
0
],
[
-0.00047916,
-0.00023414,
-0.00083182
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[
0.00047916,
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],
[
0,
0,
0
],
[
-0.00047916,
0.00023414,
-0.00083182
],
[
0,
0,
0
],
... | 0.000106 | 24.718891 | pbe | true | d1cc07af8e409c97cba59fdacfcc52d4_14_Ba6Nb2Se12 |
[
"Ba",
"Nb",
"Sr"
] | 8 | A2BC | Ba2NbSr | Ba4 Sr2 Nb2 | 3 | [
1,
1,
1
] | 3 | [
[
9.92263331,
0,
0
],
[
0,
9.92263331,
0
],
[
4.96131666,
4.96131666,
3.66428086
]
] | agm002895190 | [
[
4.961316655,
4.961316655,
0
],
[
4.961316657499999,
9.9226333125,
1.83214043
],
[
0,
0,
0
],
[
9.9226333125,
4.961316657499999,
1.83214043
],
[
7.904403135270256,
2.4806583287499997,
0.916070215
],
[
2.018230177229745,
7.44197... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Sr", "attached"... | [
"Sr",
"Sr",
"Nb",
"Nb",
"Ba",
"Ba",
"Ba",
"Ba"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.92563593,
0,
0
],
[
0,
0.92563593,
0
],
[
0,
0,
0.71121573
]
] | -24.019804 | [
-0.006,
-0.006,
2.497,
2.496,
0.034,
0.03,
0.033,
0.029
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0.00942869,
0,
0
],
[
-0.00942869,
0,
0
],
[
0,
-0.00942869,
0
],
[
0,
0.00942869,
0
]
] | 6.127521 | 3.943152 | pbe | true | cc1fa004b1457f5e7e25ea2224757496_122_Ba4Sr2Nb2 |
[
"Ba",
"Np",
"O"
] | 13 | A8B3C2 | Ba3Np2O8 | Ba3 Np2 O8 | 3 | [
1,
1,
1
] | 3 | [
[
8.59236319,
0.57186082,
3.59766825
],
[
3.38224803,
5.73965576,
3.63990549
],
[
2.2858065,
-0.37084903,
7.22978037
]
] | agm005598430 | [
[
4.296181595,
0.28593041,
1.798834125
],
[
11.145226411955958,
1.6893277047698283,
9.953074390774262
],
[
3.115190211602512,
4.251333734725382,
4.514283309100618
],
[
9.77245541327934,
2.006749136849078,
6.400510979683533
],
[
4.4879612102791295,
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Np", "attached": ... | [
"Ba",
"Ba",
"Ba",
"Np",
"Np",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.23076923076923078,
0.15384615384615385,
0.6153846153846154
] | [
[
0.6105888,
0.00409484,
0.02778373
],
[
0.00410314,
0.5458599,
0.00709845
],
[
0.02779786,
0.00709592,
0.5629966
]
] | -107.955687 | [
0.009,
0.002,
0.002,
2.219,
2.219,
-0.063,
-0.063,
-0.074,
-0.074,
-0.058,
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-0.058
] | [
[
0,
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0
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[
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[
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[
-0.00233806,
0.00192596,
0.0025642
],
[... | 4.000001 | 6.33161 | pbe | true | 876b094c3d4826f47b82b6f655031578_12_Ba3Np2O8 |
[
"Ba",
"O",
"S"
] | 24 | A4BC | BaO4S | Ba4 S4 O16 | 3 | [
1,
1,
1
] | 3 | [
[
5.55721755,
0,
0
],
[
0,
7.27156973,
0
],
[
0,
0,
9.01782953
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] | agm003231093 | [
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4.168182020685069,
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2.833180199719562
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1.389035529314931,
2.954134538821497,
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[
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "O", "attached": n... | [
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] | 2023-11-16 06:57:59 | [
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[
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-0.00198677,... | 0 | 0 | pbe | true | 45a09b768700a07f4ec5d8c234c5e300_62_Ba4S4O16 |
[
"Ba",
"O",
"Sb"
] | 24 | A7B4C | BaO7Sb4 | Ba2 Sb8 O14 | 3 | [
1,
1,
1
] | 3 | [
[
3.81479091,
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0
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[
3.81479091,
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0
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[
0,
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12.20812873
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] | agm005243654 | [
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[
1.974769049480146... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Sb", "attached": ... | [
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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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... | 0.000021 | 0 | pbe | true | 6037cf3d5bcad4c4e353a6ddb47ec3ae_186_Ba2Sb8O14 |
[
"Ba",
"Pd",
"Rh"
] | 6 | A3B2C | BaPd2Rh3 | Ba1 Pd2 Rh3 | 3 | [
1,
1,
1
] | 3 | [
[
4.37979259,
0,
0
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[
0,
5.48712066,
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[
0,
-2.74369908,
4.75190577
]
] | agm002379980 | [
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[
0,
2.7435237374951624,
1.5839624410962205
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[
0,
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... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Pd", "attached"... | [
"Rh",
"Rh",
"Rh",
"Ba",
"Pd",
"Pd"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.3333333333333333,
0.5
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[
0,
8.52024,
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[
0,
0.01118635,
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] | -34.802021 | [
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[
0,
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0.00003937
],
[
0,
0.0000682,
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]
] | 0 | 9.418493 | pbe | true | 92ebe64504d4d4c25dd3a861be624b1d_191_Ba1Pd2Rh3 |
[
"Ba",
"Rh",
"Sc"
] | 4 | A2BC | Ba2RhSc | Ba2 Sc1 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
4.89463308,
-0.02315405,
0.02342656
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[
-4.87639738,
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0.04029324
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[
0.00114677,
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3.55820829
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] | agm004251994 | [
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[
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2.447889925,
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sc", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sc"]}, {"mass": null, "name": "Rh", "attached"... | [
"Ba",
"Ba",
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] | 2023-11-16 06:57:59 | [
0.5,
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] | [
[
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[
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] | -16.107269 | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.433031 | 5.594786 | pbe | true | 2e22fb7ed53f35ba4b86f87843079751_47_Ba2Sc1Rh1 |
[
"Ba",
"Rh",
"Sb"
] | 14 | A4B2C | BaRh4Sb2 | Ba2 Sb4 Rh8 | 3 | [
1,
1,
1
] | 3 | [
[
4.07218711,
0,
0
],
[
0,
8.32180328,
0
],
[
0,
0,
8.32180328
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] | agm003457143 | [
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[
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4.16090164,
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[
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[
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[
2.036093555,
2.263782809235... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Rh", "attached"... | [
"Ba",
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"Sb",
"Sb",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.5714285714285714,
0.2857142857142857
] | [
[
6.4634843,
0,
0
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[
0,
6.6128974,
0
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[
0,
0,
6.6128974
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] | -85.262062 | [
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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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[
0,
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[
0,
0.004... | -0.000031 | 12.278296 | pbe | true | 4964418a98e0c8b75a53bfc8a4b16ac5_136_Ba2Sb4Rh8 |
[
"Ba",
"Rh",
"Y"
] | 4 | A2BC | BaRhY2 | Ba1 Y2 Rh1 | 3 | [
1,
1,
1
] | 3 | [
[
3.83771629,
0,
0
],
[
0,
4.15434793,
0.00240401
],
[
0,
2.07440881,
8.58601212
]
] | agm004230568 | [
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0,
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4.585913554593985
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1.918858145,
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7.472066770441944
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[
0,
5.968669626593586,
7.85878996394306
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[
1.918858145,
1.8152604593861834,
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] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Y", "attached":... | [
"Ba",
"Rh",
"Y",
"Y"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.6975303,
0,
0
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[
0,
1.6395966,
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],
[
0,
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1.8177767
]
] | -23.266603 | [
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0,
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0
] | [
[
0,
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[
0,
0.00118102,
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[
0,
0.0000021,
-0.00079903
],
[
0,
0.00206883,
-0.00563206
]
] | 0.001503 | 3.972953 | pbe | true | 5a542ccf5754047e601cd5dfe6bd87ae_38_Ba1Y2Rh1 |
[
"Ba",
"Se",
"Sn"
] | 18 | A5B3C | Ba3Se5Sn | Ba6 Sn2 Se10 | 3 | [
1,
1,
1
] | 3 | [
[
8.84305721,
0,
0
],
[
0,
8.84305721,
0
],
[
-4.42152861,
-4.42152861,
7.63131392
]
] | agm003566216 | [
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1.4047980707259518,
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7.63131392
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[
3.016730529274047,
7.438267977331257,
0
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[
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3.016730529274047,
0
],
[
-2.5000002068509275e-9,
-2.5000002068509... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Se", "attached"... | [
"Ba",
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"Sn",
"Sn",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.5555555555555556,
0.1111111111111111
] | [
[
0.3516942,
0,
0
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[
0,
0.3516942,
0
],
[
0,
0,
0.32650977
]
] | -80.592014 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0,
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] | [
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[
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0
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[
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[
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
-0... | 0 | -0.00981 | pbe | true | e0e8a05652e90449e00e7c3e445acfa2_140_Ba6Sn2Se10 |
[
"Ba",
"Se",
"Te"
] | 4 | A2BC | Ba2SeTe | Ba2 Te1 Se1 | 3 | [
1,
1,
1
] | 3 | [
[
4.74887317,
0,
0
],
[
2.37443658,
4.1126448,
0
],
[
2.37443659,
1.3708816,
8.36967253
]
] | agm005110939 | [
[
2.3744365882705547,
1.3708816,
6.19843878152277
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[
2.374436585055293,
1.3708816,
2.161835275799842
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[
7.123307382218394,
4.1126434291184,
8.354996141825195
],
[
4.74887317001917,
2.7417632,
4.208902756179663
]
] | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Te", "attached"... | [
"Ba",
"Ba",
"Te",
"Se"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
0.4213035,
0,
0
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[
0,
0.4213035,
0
],
[
0,
0,
0.5249475
]
] | -17.783818 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00183115
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[
0,
0,
0.00293259
],
[
0,
0,
-0.00278487
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[
0,
0,
-0.00197888
]
] | 0.000001 | 0 | pbe | true | 0da754efe88b0141b2029e2594118a74_160_Ba2Te1Se1 |
[
"Ba",
"Tb",
"Zn"
] | 6 | A4BC | BaTbZn4 | Ba1 Tb1 Zn4 | 3 | [
1,
1,
1
] | 3 | [
[
5.72652785,
0,
0
],
[
2.86326392,
4.95931859,
0
],
[
2.86326392,
1.6531062,
4.67569041
]
] | agm001187623 | [
[
5.7265307381678205,
3.306210757153611,
0.5546480237870457
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[
5.72653073816782,
1.6249974257003803,
2.9322427224264827
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[
7.182504192363555,
4.146817425422733,
2.9322427224264827
],
[
4.270557278887072,
4.146817425422733,
2.9322427224264827
],
[
... | [{"mass": null, "name": "Ba", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ba"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Zn", "attached"... | [
"Zn",
"Zn",
"Zn",
"Zn",
"Tb",
"Ba"
] | 2023-11-16 06:57:59 | [
0.16666666666666666,
0.16666666666666666,
0.6666666666666666
] | [
[
2.4037962,
0,
0
],
[
0,
2.4037962,
0
],
[
0,
0,
2.4037962
]
] | -12.420723 | [
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
-0.00140485
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[
0,
-0.00132451,
0.00046828
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[
0.00114706,
0.00066225,
0.00046828
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[
-0.00114706,
0.00066225,
0.00046828
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000126 | 7.581034 | pbe | true | 627a857d31eda7e05a483f32dde0b798_216_Ba1Tb1Zn4 |
[
"Be",
"Cr",
"In"
] | 6 | A4BC | Be4CrIn | Be4 Cr1 In1 | 3 | [
1,
1,
1
] | 3 | [
[
0,
3.21018423,
3.21018423
],
[
3.21018423,
0,
3.21018423
],
[
3.21018423,
3.21018423,
0
]
] | agm005433542 | [
[
2.4301715470730083,
3.9901968808251493,
3.9901968808251493
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[
3.9901968808251493,
3.9901968808251493,
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[
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[
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2.4301715470730083,
2.4301715470730083
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"Be",
"Be",
"Be",
"Be",
"Cr",
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] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.16666666666666666,
0.16666666666666666
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[
0,
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[
0,
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3.413671
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] | -26.382945 | [
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2.663,
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[
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] | 2.943802 | 1.87894 | pbe | true | 9940a252c7db7443e8819f616e464e78_216_Be4Cr1In1 |
[
"Be",
"Cr",
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] | 4 | A2BC | Be2CrMn | Mn1 Be2 Cr1 | 3 | [
1,
1,
1
] | 3 | [
[
2.77495939,
0,
0
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[
0,
2.77495939,
0
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[
0,
0,
5.13259252
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] | agm004416273 | [
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0,
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1.387479695,
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] | [{"mass": null, "name": "Cr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cr"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Be", "attached"... | [
"Cr",
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"Be"
] | 2023-11-16 06:57:59 | [
0.5,
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[
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[
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[
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] | -26.280079 | [
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[
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[
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] | 0.000075 | 2.683142 | pbe | true | 828670f88b072b5e15dfc6c16a6acc21_99_Mn1Be2Cr1 |
[
"Be",
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"N"
] | 14 | A3B3C | Be3F3N | Be6 N2 F6 | 3 | [
1,
1,
1
] | 3 | [
[
2.65159405,
4e-8,
0
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[
0.00003396,
13.62951527,
0
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[
0,
0,
17.80490379
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] | agm2000095289 | [
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2.11621425331619,
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2.11621427983213,
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[
0.537335... | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "N", "attached": n... | [
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"N",
"F",
"F",
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] | 2023-11-16 06:57:59 | [
0.42857142857142855,
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[
0.372393,
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0
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[
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0
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[
0,
0,
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] | -78.641248 | [
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[
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0
... | -0.000002 | 0 | pbe | true | 9a3c0a350a77a3bbc57d5160c11a5005_26_Be6N2F6 |
[
"Be",
"Ge",
"Hg"
] | 5 | A3BC | BeGe3Hg | Be1 Hg1 Ge3 | 3 | [
1,
1,
1
] | 3 | [
[
5.19355541,
0,
0
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[
0,
5.19355541,
0
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[
0,
0,
5.19355541
]
] | agm002418531 | [
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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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] | [{"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": "Be", "attached"... | [
"Be",
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"Ge",
"Ge",
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] | 2023-11-16 06:57:59 | [
0.2,
0.6,
0.2
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[
0,
2.8535426,
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[
0,
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] | -11.098037 | [
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[
0,
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[
0,
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[
0,
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0
]
] | 0 | 1.191983 | pbe | true | af57af1eb252210d7cea23967b2cd50e_221_Be1Hg1Ge3 |
[
"Be",
"I",
"La"
] | 20 | A12B7C | BeI12La7 | La7 Be1 I12 | 3 | [
1,
1,
1
] | 3 | [
[
10.76758735,
0,
-2.21608278
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[
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8.16741524,
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],
[
-1.68806071,
1.7e-7,
9.9760029
]
] | agm005779267 | [
[
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[
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[
1.7762296171673824,
2.... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "I", "attached":... | [
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"I",
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] | 2023-11-16 06:57:59 | [
0.05,
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0.35
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[
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[
0.00196654,
2e-8,
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] | -81.865762 | [
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[
0.00007414,
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[
... | 0.003314 | 12.070079 | pbe | true | c46c85df0f07bdbb32b25410cd775162_148_La7Be1I12 |
[
"Be",
"K",
"Ni"
] | 4 | A2BC | BeKNi2 | K1 Be1 Ni2 | 3 | [
1,
1,
1
] | 3 | [
[
4.83286529,
0.05305381,
-2e-8
],
[
1.62055415,
4.55337302,
-2e-8
],
[
-3.22670798,
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2.76459222
]
] | agm004063286 | [
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0,
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[
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1.3822960899999999
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[
2.4164335149999996,
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1.3822960899999999
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[
3.22670972,
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]
] | [{"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Be", "attached": ... | [
"Ni",
"Ni",
"K",
"Be"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
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0.19209044,
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[
0.19209044,
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[
-0.00000387,
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] | -12.089416 | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 0.330905 | 5.082101 | pbe | true | 151c1a37a70ae66d54dc332eba872170_119_K1Be1Ni2 |
[
"Be",
"Ir",
"Y"
] | 12 | A3B2C | Be3Ir2Y | Y2 Be6 Ir4 | 3 | [
1,
1,
1
] | 3 | [
[
5.18400885,
-1e-8,
0
],
[
-2.59200494,
4.48948358,
0
],
[
0,
0,
7.23826575
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] | agm005876660 | [
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0,
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3.619132875
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[
0,
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0
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[
2.5916703156296172,
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[
3.887839325281617,
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[
0.0003335943703826061,
4.489483574999356,
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[
1.2961690096519995,
2... | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
"Y",
"Be",
"Be",
"Be",
"Be",
"Be",
"Be",
"Ir",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.5,
0.3333333333333333,
0.16666666666666666
] | [
[
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2e-8,
0
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[
2e-8,
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[
0,
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] | -77.152391 | [
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[
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[
0.0005975,
0.0010349,
0
],
[... | 0.000507 | 10.354127 | pbe | true | dc46f6d7f2b18b9ecdb904be5607ba51_191_Y2Be6Ir4 |
[
"Be",
"Li",
"Ta"
] | 4 | A2BC | Be2LiTa | Li1 Ta1 Be2 | 3 | [
1,
1,
1
] | 3 | [
[
4.02001886,
-0.00099951,
0
],
[
0.0053481,
4.02001542,
0
],
[
-2.01268065,
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2.84104881
]
] | agm003803665 | [
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0,
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[
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[
2.01268348,
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0
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[
2.0100108450000005,
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1.420524405
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] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Be", "attached"... | [
"Be",
"Be",
"Li",
"Ta"
] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
-0.35171887,
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1.8e-7
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[
-0.5320523,
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1.8e-7
],
[
1.8e-7,
1.8e-7,
0.18117471
]
] | -19.71222 | [
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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
]
] | -0.000005 | 1.094398 | pbe | true | 203b38fd1a5651f12fe85d3b669006b5_216_Li1Ta1Be2 |
[
"Be",
"Li",
"Te"
] | 4 | A2BC | Be2LiTe | Li1 Be2 Te1 | 3 | [
1,
1,
1
] | 3 | [
[
3.58237399,
0,
0
],
[
0,
2.94525471,
0
],
[
0,
0,
6.20330624
]
] | agm004068740 | [
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[
0,
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2.95521166959232
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[
1.791186995,
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] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Te", "attached"... | [
"Be",
"Be",
"Li",
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] | 2023-11-16 06:57:59 | [
0.5,
0.25,
0.25
] | [
[
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0,
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[
0,
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0
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[
0,
0,
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]
] | -11.30814 | [
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] | [
[
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[
0,
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],
[
0,
0,
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],
[
0,
0,
0.00705485
]
] | -0.000013 | 1.256717 | pbe | true | 3b47b029fd4af087a025188477ca897d_25_Li1Be2Te1 |
[
"Be",
"Mg",
"P"
] | 4 | A2BC | BeMg2P | Mg2 Be1 P1 | 3 | [
1,
1,
1
] | 3 | [
[
8.30013829,
0.00364927,
0.0021571
],
[
7.72880479,
3.02619983,
0.0021571
],
[
7.72880479,
1.46092678,
2.65020433
]
] | agm004417172 | [
[
5.939436967499999,
1.12269397,
0.6636296325000001
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[
0.0670685973919674,
0.0126775501247576,
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[
11.811805337608032,
2.2327103898752423,
1.3197655060994395
],
[
17.8183109025,
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] | [{"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "P", "attached":... | [
"P",
"Mg",
"Mg",
"Be"
] | 2023-11-16 06:57:59 | [
0.25,
0.5,
0.25
] | [
[
1.8700234,
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[
0.05378389,
1.5956545,
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],
[
0.03179191,
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1.5890403
]
] | -11.267048 | [
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] | [
[
0,
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[
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[
0.0041953,
0.00079301,
0.00046875
],
[
0,
0,
0
]
] | -0.000165 | 2.603278 | pbe | true | 2ade715add7ed9e81f1ecd198cdccee2_166_Mg2Be1P1 |
[
"Be",
"Ni",
"Y"
] | 14 | A3B3C | BeNi3Y3 | Y6 Be2 Ni6 | 3 | [
1,
1,
1
] | 3 | [
[
3.74974498,
0,
0.56484487
],
[
1.84852962,
5.0364952,
0.45729977
],
[
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13.7107405
]
] | agm005932594 | [
[
2.5040503162864853,
1.6963617611602728,
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[
2.946314863713515,
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[
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3.4512260520961457
],
[
4.0528252414619335,
3.7492783868662145,
11.281659087903854
],
... | [{"mass": null, "name": "Be", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Be"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Y", "attached":... | [
"Y",
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"Y",
"Y",
"Y",
"Be",
"Be",
"Ni",
"Ni",
"Ni",
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"Ni",
"Ni"
] | 2023-11-16 06:57:59 | [
0.14285714285714285,
0.42857142857142855,
0.42857142857142855
] | [
[
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[
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0.0357293
],
[
0.04398969,
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]
] | -86.172277 | [
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0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0.00022268,
-0.00075561,
-0.00147829
],
[
-0.00022268,
0.00075561,
0.00147829
],
[
-0.00073768,
0.00118646,
0.00489714
],
[
0.00073768,
-0.00118646,
-0.00489714
],
[
-0.00008588,
0.00343093,
0.00057015
],
[
0.00008588,
-0.0034... | 0 | 8.392639 | pbe | true | 1fce1b4b53a1dbcfd607cce10db22338_12_Y6Be2Ni6 |
[
"Be",
"O",
"Ru"
] | 5 | A3BC | BeORu3 | Be1 Ru3 O1 | 3 | [
1,
1,
1
] | 3 | [
[
4.10138016,
0,
0
],
[
0,
4.10138016,
0
],
[
0,
0,
4.10138016
]
] | agm002420063 | [
[
0,
2.05069008,
0
],
[
0,
0,
2.05069008
],
[
2.05069008,
0,
0
],
[
2.05069008,
2.05069008,
2.05069008
],
[
0,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Be", "attached": ... | [
"Ru",
"Ru",
"Ru",
"O",
"Be"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.6
] | [
[
1.363909,
0,
0
],
[
0,
1.363909,
0
],
[
0,
0,
1.363909
]
] | -29.935223 | [
1.214,
0.866,
1.097,
0.434,
-0.042
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.723022 | 4.453766 | pbe | true | 82e09b6718c1908a7c2a4248ef97bbab_221_Be1Ru3O1 |
[
"Be",
"Pb",
"Ru"
] | 4 | A2BC | BePbRu2 | Be1 Ru2 Pb1 | 3 | [
1,
1,
1
] | 3 | [
[
3.04432798,
0.00469993,
0
],
[
-0.00789853,
3.04434758,
0
],
[
0,
0,
6.49877712
]
] | agm004035122 | [
[
1.518214725,
1.5245237550000001,
4.87408284
],
[
0,
0,
0.3441393630254976
],
[
0,
0,
2.905249196974502
],
[
1.518214725,
1.5245237550000001,
1.62469428
]
] | [{"mass": null, "name": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Be", "attached"... | [
"Pb",
"Ru",
"Ru",
"Be"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.5
] | [
[
1.0568798,
0.16758512,
0
],
[
0.16758512,
1.058285,
0
],
[
0,
0,
1.2516372
]
] | -24.678884 | [
-0.012,
0.424,
0.424,
-0.014
] | [
[
0,
0,
0
],
[
0,
0,
-0.00176361
],
[
0,
0,
0.00176361
],
[
0,
0,
0
]
] | 0.85013 | 4.474481 | pbe | true | 1fc390ca7df627e4fab6d825233dc37c_123_Be1Ru2Pb1 |