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 ⌀ |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
[
"Cu",
"O",
"Re",
"Tl"
] | 12 | A8B2CD | CuO8Re2Tl | Tl1 Cu1 Re2 O8 | 4 | [
1,
1,
1
] | 3 | [
[
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0
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[
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] | agm004874194 | [
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4.316113715... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Re", "attached": ... | [
"Tl",
"Cu",
"Re",
"Re",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
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[
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-0.00... | 0 | -0.04511 | pbe | true | ac2c215a436e842e3c7a3852be585777_12_Tl1Cu1Re2O8 |
[
"Cu",
"Pb",
"S",
"Tm"
] | 16 | A4B2CD | CuPbS4Tm2 | Tm4 Cu2 Pb2 S8 | 4 | [
1,
1,
1
] | 3 | [
[
3.8500508,
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0
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[
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] | agm004778604 | [
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[
1.925025... | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Pb", "attached": ... | [
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"S",
"S",
"S",
"S",
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] | 2023-11-16 06:57:59 | [
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[
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... | -0.000108 | 5.877043 | pbe | true | ead940493c992cb4640991f6f39d0b5e_63_Tm4Cu2Pb2S8 |
[
"Cu",
"Pt",
"Si",
"Tb"
] | 5 | A2BCD | CuPtSi2Tb | Tb1 Cu1 Si2 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.05519583,
0,
0
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[
0,
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0
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[
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] | agm005017755 | [
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2.... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Si", "attached"... | [
"Tb",
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] | 2023-11-16 06:57:59 | [
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[
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0,
0
]
] | 0.000002 | 2.096185 | pbe | true | 6232cc4b0004b38eb79918fa8a4c3d13_119_Tb1Cu1Si2Pt1 |
[
"Cu",
"Rh",
"Sm",
"U"
] | 10 | A6B2CD | CuRh6Sm2U | Sm2 U1 Cu1 Rh6 | 4 | [
1,
1,
1
] | 3 | [
[
6.67302215,
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[
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] | agm004942659 | [
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[
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[
8.3560425198... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "U", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["U"]}, {"mass": null, "name": "Cu", "attached": ... | [
"Sm",
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"Cu",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
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] | 2023-11-16 06:57:59 | [
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[
... | -0 | 6.987304 | pbe | true | 1df525969f80394c15f1f175b291f64d_225_Sm2U1Cu1Rh6 |
[
"Cu",
"Rh",
"Sb",
"Sr"
] | 10 | A4B3C2D | Cu3RhSb4Sr2 | Sr2 Cu3 Sb4 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.66719982,
0,
0
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[
0,
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] | agm004529556 | [
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[
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... | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Cu", "attached"... | [
"Sr",
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"Cu",
"Cu",
"Sb",
"Sb",
"Sb",
"Sb",
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] | 2023-11-16 06:57:59 | [
0.3,
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[
0,
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] | -44.250567 | [
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[
0,
0,
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... | 0 | 4.063165 | pbe | true | 094a15084c967a82a3cad10fb71248cf_115_Sr2Cu3Sb4Rh1 |
[
"Cu",
"Ru",
"Tm",
"Zn"
] | 8 | A4B2CD | CuRu2Tm4Zn | Tm4 Zn1 Cu1 Ru2 | 4 | [
1,
1,
1
] | 3 | [
[
4.82157955,
0,
0
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[
2.41078977,
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0
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] | agm004791459 | [
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[
0... | [{"mass": null, "name": "Cu", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Cu"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tm",
"Tm",
"Tm",
"Tm",
"Zn",
"Cu",
"Ru",
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] | 2023-11-16 06:57:59 | [
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] | -45.05399 | [
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] | -0.000002 | 5.967337 | pbe | true | deda283c0dfad1b97c98e894b7e83f7d_166_Tm4Zn1Cu1Ru2 |
[
"Cu",
"S",
"Si",
"Sn"
] | 5 | A2BCD | CuSSiSn2 | Si1 Cu1 Sn2 S1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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0,
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] | agm001547559 | [
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] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Cu", "attached": ... | [
"S",
"Si",
"Sn",
"Sn",
"Cu"
] | 2023-11-16 06:57:59 | [
0.2,
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0.4
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[
0,
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] | 0 | 2.469893 | pbe | true | bfe13a7c5db3afb281a1efbf3d3d6253_123_Si1Cu1Sn2S1 |
[
"Dy",
"Er",
"Sc",
"Tb"
] | 12 | A6B3C2D | DyEr6Sc2Tb3 | Tb3 Dy1 Er6 Sc2 | 4 | [
1,
1,
1
] | 3 | [
[
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[
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[
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[
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[
3.0248905535790267,
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8.58129099... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Er", "attached"... | [
"Tb",
"Tb",
"Tb",
"Dy",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Sc",
"Sc"
] | 2023-11-16 06:57:59 | [
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0.25
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[
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0.0031952... | -0.000271 | 17.488144 | pbe | true | 9b06b694b68cf100a639bd021d822355_12_Tb3Dy1Er6Sc2 |
[
"Dy",
"Eu",
"Ni",
"Rh"
] | 4 | ABCD | DyEuNiRh | Eu1 Dy1 Ni1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.88189722,
0,
0
],
[
2.44094861,
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0
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[
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] | agm001358850 | [
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] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Rh", "attached"... | [
"Eu",
"Ni",
"Rh",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
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0.25,
0.25
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0,
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[
0,
0,
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] | -29.551733 | [
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0.055
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[
0,
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0
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[
0,
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0
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[
0,
0,
0
]
] | 6.659423 | 12.339967 | pbe | true | d1b0869d588942590b968bc606d1fe14_216_Eu1Dy1Ni1Rh1 |
[
"Dy",
"Fe",
"Ge",
"Pd"
] | 9 | A3B3C2D | Dy3Fe3Ge2Pd | Dy3 Fe3 Ge2 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
0,
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[
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] | agm002272074 | [
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[
2.123650735,
2.6104796052964523,
4.521483300636336
],
[
2.123650735,
1.4153020272744152,
0
],
[
2.123650735,
-0.707651012570867... | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Dy", "attached"... | [
"Ge",
"Ge",
"Fe",
"Fe",
"Fe",
"Pd",
"Dy",
"Dy",
"Dy"
] | 2023-11-16 06:57:59 | [
0.3333333333333333,
0.3333333333333333,
0.2222222222222222,
0.1111111111111111
] | [
[
4.924329,
0,
0
],
[
0,
3.3351607,
0
],
[
0,
0,
3.3351607
]
] | -56.197443 | [
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
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[
0,
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[
0,
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0
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[
0,
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[
0,
0,
0
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[
0,
0.00231988,
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[
0,
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0
],
[
0... | -0.000151 | 12.338124 | pbe | true | 4306f05648d055610183dda97f3665e6_189_Dy3Fe3Ge2Pd1 |
[
"Dy",
"Ga",
"In",
"Tm"
] | 4 | ABCD | DyGaInTm | Dy1 Tm1 In1 Ga1 | 4 | [
1,
1,
1
] | 3 | [
[
3.52717995,
0,
0
],
[
0,
3.52717995,
0
],
[
0,
0,
7.80660577
]
] | agm005185821 | [
[
1.763589975,
1.763589975,
0.9676866321402557
],
[
1.763589975,
1.763589975,
4.606546757767949
],
[
0,
0,
6.661617068932658
],
[
0,
0,
2.8149732014883377
]
] | [{"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Tm", "attached"... | [
"Dy",
"Tm",
"In",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.6835742,
0,
0
],
[
0,
1.6835742,
0
],
[
0,
0,
1.8414754
]
] | -16.861556 | [
0,
0,
0,
0
] | [
[
0,
0,
0.00280876
],
[
0,
0,
-0.00354295
],
[
0,
0,
-0.00126895
],
[
0,
0,
0.00200314
]
] | -0.000003 | 1.855071 | pbe | true | 77b95a1879d35d1b9b69a2e27b1c8d30_99_Dy1Tm1In1Ga1 |
[
"Dy",
"Ge",
"Rh",
"Zr"
] | 20 | A5B2C2D | Dy2Ge2Rh5Zr | Dy4 Zr2 Ge4 Rh10 | 4 | [
1,
1,
1
] | 3 | [
[
3.6527646,
0,
0
],
[
0,
9.83272299,
0
],
[
0,
0,
9.83272299
]
] | agm005130399 | [
[
0,
6.617854327136491,
1.701492832136491
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[
0,
3.214868662863509,
8.13123015786351
],
[
0,
1.701492832136491,
3.214868662863509
],
[
0,
8.13123015786351,
6.617854327136491
],
[
0,
0,
0
],
[
0,
4.916361495,
4.916361495
]... | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Ge", "attached"... | [
"Dy",
"Dy",
"Dy",
"Dy",
"Zr",
"Zr",
"Ge",
"Ge",
"Ge",
"Ge",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh",
"Rh"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.5,
0.1
] | [
[
7.483902,
0,
0
],
[
0,
7.9246287,
0
],
[
0,
0,
7.9246287
]
] | -144.820711 | [
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
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[
0,
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0.00120485
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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,
-0.00589015,
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[
0,
0.00... | -0.000002 | 4.772332 | pbe | true | 38092b54e5de345f6dc38c1bcff8f00c_127_Dy4Zr2Ge4Rh10 |
[
"Dy",
"Hg",
"Pr",
"Ru"
] | 4 | ABCD | DyHgPrRu | Pr1 Dy1 Hg1 Ru1 | 4 | [
1,
1,
1
] | 3 | [
[
5.13299614,
0,
0
],
[
2.56649807,
4.44530505,
0
],
[
2.56649807,
1.48176835,
4.19107379
]
] | agm001315236 | [
[
2.56649807,
1.48176835,
1.0477684475
],
[
0,
0,
0
],
[
5.13299614,
2.9635367,
2.095536895
],
[
7.699494210000001,
4.44530505,
3.1433053424999997
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Pr", "attached"... | [
"Pr",
"Ru",
"Hg",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.7695966,
0,
0
],
[
0,
2.7695966,
0
],
[
0,
0,
2.7695966
]
] | -20.04757 | [
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000011 | 2.996581 | pbe | true | f0cbe3c54c6ce01233b6e9b8c2031cfc_216_Pr1Dy1Hg1Ru1 |
[
"Dy",
"Hg",
"Sm",
"Y"
] | 4 | ABCD | DyHgSmY | Sm1 Y1 Dy1 Hg1 | 4 | [
1,
1,
1
] | 3 | [
[
5.4439137,
0,
0
],
[
2.72195685,
4.71456756,
0
],
[
2.72195685,
1.57152252,
4.44493692
]
] | agm001322278 | [
[
0,
0,
0
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[
8.165870550000001,
4.71456756,
3.33370269
],
[
5.4439137,
3.14304504,
2.22246846
],
[
2.72195685,
1.57152252,
1.11123423
]
] | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Sm", "attached"... | [
"Y",
"Hg",
"Sm",
"Dy"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.7090967,
0,
0
],
[
0,
1.7090967,
0
],
[
0,
0,
1.7090967
]
] | -16.324117 | [
0.001,
0,
0,
0.001
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.002961 | 5.3309 | pbe | true | 3e62530538036b7c160bad71b6e82cb9_216_Sm1Y1Dy1Hg1 |
[
"Dy",
"Ho",
"In",
"Li"
] | 8 | A4B2CD | DyHo2In4Li | Li1 Dy1 Ho2 In4 | 4 | [
1,
1,
1
] | 3 | [
[
5.18854759,
0,
0
],
[
2.59427379,
4.49341402,
0
],
[
2.59427379,
1.49780467,
8.6545529
]
] | agm004805693 | [
[
5.188547585,
2.995609345,
4.32727645
],
[
0,
0,
0
],
[
7.782821351592336,
4.493414002557029,
6.399847315200808
],
[
2.5942738184076632,
1.497804687442972,
2.254705584799192
],
[
5.188547583773248,
2.9956093437732485,
7.512373214117654
]... | [{"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Dy", "attached"... | [
"Li",
"Dy",
"Ho",
"Ho",
"In",
"In",
"In",
"In"
] | 2023-11-16 06:57:59 | [
0.125,
0.25,
0.5,
0.125
] | [
[
2.790474,
0,
0
],
[
0,
2.790474,
0
],
[
0,
0,
2.7771842
]
] | -29.939233 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
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],
[
0,
0,
0.00104172
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[
0,
0,
0.00165224
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[
0,
0,
-0.00151559
],
[
0,
0,
0.00151559
],
[
0,
0,
-0.00165224
]
] | 0.000005 | 3.924053 | pbe | true | 8ee4b7a30c5230c216e9b954f463cc44_166_Li1Dy1Ho2In4 |
[
"Dy",
"La",
"Sb",
"Tm"
] | 8 | A4B2CD | Dy2LaSb4Tm | La1 Dy2 Tm1 Sb4 | 4 | [
1,
1,
1
] | 3 | [
[
6.27085712,
0.34178917,
0
],
[
-0.34134366,
6.27088138,
0
],
[
-2.96475673,
-3.30633527,
6.26747949
]
] | agm004843007 | [
[
5.560601901850487,
6.201255581033912,
0
],
[
-0.5455313423963742,
2.7173924875785014,
3.133739745
],
[
2.7605690476036253,
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3.133739745
],
[
-0.3718460150657332,
-0.41468750849457736,
6.26747949
],
[
5.727896982652806,
3.... | [{"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Sb", "attached"... | [
"La",
"Dy",
"Dy",
"Tm",
"Sb",
"Sb",
"Sb",
"Sb"
] | 2023-11-16 06:57:59 | [
0.25,
0.125,
0.5,
0.125
] | [
[
0.6165315,
0.00004354,
0
],
[
0.00004354,
0.61654097,
0
],
[
0,
0,
0.6194473
]
] | -44.157383 | [
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00106915
],
[
0,
0,
0.00106915
]
] | 0 | 1.156091 | pbe | true | 52bada0efbcc105752144ccbad942696_42_La1Dy2Tm1Sb4 |
[
"Dy",
"Mg",
"N",
"Y"
] | 5 | A2BCD | DyMgNY2 | Dy1 Y2 Mg1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.8738068,
0,
0
],
[
0,
4.88494487,
0
],
[
0,
0,
4.88494487
]
] | agm005011962 | [
[
2.4369034,
0,
0
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[
0,
0,
2.442472435
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[
0,
2.442472435,
0
],
[
2.4369034,
2.442472435,
2.442472435
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "N", "attached":... | [
"Dy",
"Y",
"Y",
"Mg",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.26073846,
0,
0
],
[
0,
0.18976595,
0
],
[
0,
0,
0.18976595
]
] | -31.033601 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000084 | 5.888885 | pbe | true | a703b3523f6ac0888f8d45e88124c310_123_Dy1Y2Mg1N1 |
[
"Dy",
"Mg",
"Ni",
"Tb"
] | 4 | ABCD | DyMgNiTb | Tb1 Dy1 Mg1 Ni1 | 4 | [
1,
1,
1
] | 3 | [
[
3.45060079,
0,
0
],
[
0,
3.45060079,
0
],
[
0,
0,
7.90659971
]
] | agm005194819 | [
[
1.725300395,
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6.123119003588897
],
[
1.725300395,
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2.912317569709377
],
[
0,
0,
0.5737214554669184
],
[
0,
0,
4.501750394605811
]
] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Mg", "attached"... | [
"Tb",
"Dy",
"Mg",
"Ni"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
-1.5289954,
0,
0
],
[
0,
-1.5289954,
0
],
[
0,
0,
-1.594081
]
] | -17.588525 | [
0,
0,
0,
0
] | [
[
0,
0,
0.003713
],
[
0,
0,
-0.00464219
],
[
0,
0,
-0.00151867
],
[
0,
0,
0.00244786
]
] | -0.000002 | 2.246724 | pbe | true | b750570c4c281c6cbbdf757034658d8b_99_Tb1Dy1Mg1Ni1 |
[
"Dy",
"Mg",
"Sm",
"Y"
] | 20 | A6B2CD | DyMgSm6Y2 | Sm12 Dy2 Y4 Mg2 | 4 | [
1,
1,
1
] | 3 | [
[
8.51006747,
-1.65927663,
-1.72195456
],
[
1.12323024,
8.8674387,
-2.28316474
],
[
1.12323024,
-2.61023492,
8.77672969
]
] | agm004977510 | [
[
1.4704204524484328,
-1.1524542418471841,
6.642949676535595
],
[
5.031073762551567,
-1.2535319072233326,
6.5380538773773
],
[
9.286107497551567,
5.750381391847184,
-1.8713392865355947
],
[
5.725454187448433,
5.851459057223332,
-1.7664434873773
],
[
... | [{"mass": null, "name": "Dy", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Dy"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Sm", "attached"... | [
"Sm",
"Sm",
"Sm",
"Sm",
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"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Sm",
"Dy",
"Dy",
"Y",
"Y",
"Y",
"Y",
"Mg",
"Mg"
] | 2023-11-16 06:57:59 | [
0.1,
0.1,
0.6,
0.2
] | [
[
0.4407578,
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],
[
-0.04320578,
0.46864688,
0.05545631
],
[
-0.04483784,
0.05545631,
0.47276026
]
] | -92.503851 | [
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0,
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0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0,
0
] | [
[
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[
0.00055642,
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],
[
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[
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[
-0.0006241,
0.00418924,
0.00220818
],
[
0.0006241,
-0.00205141,
... | -0.000078 | 27.767654 | pbe | true | a13f1de79fce68aecea96888a2e6db87_15_Sm12Dy2Y4Mg2 |
[
"Dy",
"N",
"Pa",
"Zn"
] | 18 | A5B2CD | DyN5Pa2Zn | Dy2 Pa4 Zn2 N10 | 4 | [
1,
1,
1
] | 3 | [
[
3.49197002,
0,
0
],
[
-1.74598501,
6.73934941,
0
],
[
0,
0,
10.92050531
]
] | agm005161422 | [
[
1.7459850274598498,
4.127603572960206,
5.258755135373597
],
[
-1.7459850119749158e-8,
2.611745837039794,
10.719007790373597
],
[
1.74598501,
5.12385470623636,
8.2812992875342
],
[
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1.868638415876036,
7.447669628499085
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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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1,
1
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[
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1
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[
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1,
1
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7.732480000... | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Ga", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ga"]}, {"mass": null, "name": "Pd", "attached"... | [
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[
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1,
1
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[... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Nd", "attached"... | [
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[
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1,
1,
1
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[
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1,
1,
1
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[
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[
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... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Er", "attached"... | [
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"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er",
"Er"
] | 2023-11-16 06:57:59 | [
0.6,
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0.1,
0.2
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[
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[
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... | -0.000106 | 28.161242 | pbe | true | 3adc8c2fd6bba8452b8dfeacad41c506_15_Tb4Sm2Ho2Er12 |
[
"Er",
"Li",
"Pm",
"Sb"
] | 7 | A2B2C2D | Er2Li2PmSb2 | Li2 Pm1 Er2 Sb2 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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2.37342115,
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0
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[
2.37342115,
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] | agm004553053 | [
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3.4... | [{"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Er", "attached"... | [
"Li",
"Li",
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"Er",
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] | 2023-11-16 06:57:59 | [
0.2857142857142857,
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[
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[
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] | 0.46777 | 5.886254 | pbe | true | 15cb7bc3c92525ab2d79f5821bae43a5_166_Li2Pm1Er2Sb2 |
[
"Er",
"Mg",
"O",
"P"
] | 8 | ABCD | ErMgOP | Er1 Mg1 O1 P1 | 4 | [
1,
1,
1
] | 3 | [
[
4.264518418,
0,
0
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[
0,
6.096306206,
0
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[
0,
0,
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] | oqmd-7113706 | [
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[
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[
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[
0,
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"Er",
"Er",
"Mg",
"Mg",
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] | 2024-11-01 00:00:00 | [
0.25,
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[
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12.3761736,
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... | 0.000016 | null | pbe | true | b69d73c252bc9f5c76c8cc670573d1ef_26_Er2Mg2P2O2 |
[
"Er",
"Mg",
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"Y"
] | 14 | A8B4CD | ErMgSe8Y4 | Y4 Er1 Mg1 Se8 | 4 | [
1,
1,
1
] | 3 | [
[
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0,
0
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[
4.16982961,
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0
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[
4.16982961,
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] | agm004918015 | [
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[
... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Mg", "attached"... | [
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"Mg",
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"Se",
"Se",
"Se",
"Se",
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] | 2023-11-16 06:57:59 | [
0.07142857142857142,
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[
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[
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[
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[
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0.00009078... | 0.000073 | 3.890574 | pbe | true | 32b5703a41d3f17b2f62eb3f166f2ca7_160_Y4Er1Mg1Se8 |
[
"Er",
"N",
"O",
"Ta"
] | 40 | A2BCD | ErN2OTa | Er1 N2 O1 Ta1 | 4 | [
1,
1,
1
] | 3 | [
[
7.859219738,
0,
0
],
[
0,
7.860765748,
0
],
[
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0,
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] | oqmd-6560723 | [
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[
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[
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5.95196,... | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "O", "attached": n... | [
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"Ta",
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] | 2024-11-01 00:00:00 | [
0.2,
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[
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[
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[
0.00... | 0.000115 | null | pbe | true | b3448bca8ee5d750cd6748944cc67a8b_14_Er8Ta8N16O8 |
[
"Er",
"N",
"Os",
"Pm"
] | 16 | A4B2CD | Er2N4OsPm | Pm2 Er4 Os2 N8 | 4 | [
1,
1,
1
] | 3 | [
[
3.41005199,
0,
0
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[
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0
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[
0,
0,
11.57114972
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] | agm004784001 | [
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[
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[
... | [{"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Pm", "attached": ... | [
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"Os",
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"N",
"N",
"N",
"N",
"N",
"N",
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] | 2023-11-16 06:57:59 | [
0.25,
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[
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[
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] | -132.685086 | [
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[
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[
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[
0,
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[
0,... | 0.000215 | 5.522922 | pbe | true | 69b328e187195108b27d8e924678e97b_63_Pm2Er4Os2N8 |
[
"Er",
"N",
"Sm",
"Y"
] | 8 | A4B2CD | ErN4Sm2Y | Sm2 Y1 Er1 N4 | 4 | [
1,
1,
1
] | 3 | [
[
3.52162185,
0,
0
],
[
0,
6.09612038,
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[
0,
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] | agm004819069 | [
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[
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4.416... | [{"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "Sm", "attached": ... | [
"Sm",
"Sm",
"Y",
"Er",
"N",
"N",
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] | 2023-11-16 06:57:59 | [
0.125,
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[
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[
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] | -66.546975 | [
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[
0,
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] | -0.000001 | 0.231239 | pbe | true | f38ef381ca7912de8df5b97aaa93a13d_10_Sm2Y1Er1N4 |
[
"Er",
"Nd",
"Pm",
"Tb"
] | 20 | A6B2CD | Er2NdPmTb6 | Tb12 Pm2 Nd2 Er4 | 4 | [
1,
1,
1
] | 3 | [
[
9.12989206,
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[
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[
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] | agm004982713 | [
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[... | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Pm", "attached"... | [
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"Tb",
"Pm",
"Pm",
"Nd",
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] | 2023-11-16 06:57:59 | [
0.2,
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[
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[
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0.0027... | -0.002652 | 29.985888 | pbe | true | 2e70d204ff20ebb8b9291ff4c57fd337_15_Tb12Pm2Nd2Er4 |
[
"Er",
"O",
"Pu",
"Rh"
] | 18 | A6BCD | ErO6PuRh | Er2 Pu2 Rh2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
5.55640935,
0,
0
],
[
-2.77820468,
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0
],
[
0,
0,
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] | agm005082667 | [
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[
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],
[
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3.207994449373306,
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],
[
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Er", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Er"]}, {"mass": null, "name": "Rh", "attached": ... | [
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] | 2023-11-16 06:57:59 | [
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] | -150.694791 | [
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-0.098,
-0.098,
-0.098,
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-0.098,
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] | [
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[
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[
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[
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[
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[
0.00164121,
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],
[
-0.00063398,
0.001... | 3.994145 | 7.509244 | pbe | true | 6c2b8f850620e0a3cc0f85c575c0111b_163_Er2Pu2Rh2O12 |
[
"Eu",
"Ga",
"Gd",
"Nd"
] | 4 | ABCD | EuGaGdNd | Nd1 Eu1 Gd1 Ga1 | 4 | [
1,
1,
1
] | 3 | [
[
5.44381475,
0,
0
],
[
2.72190738,
4.71448187,
0
],
[
2.72190738,
1.57149396,
4.44485613
]
] | agm001365873 | [
[
2.7219073775,
1.5714939575,
1.1112140325
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[
5.443814755,
3.142987915,
2.222428065
],
[
0,
0,
0
],
[
8.1657221325,
4.7144818725,
3.3336420975
]
] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Nd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nd"]}, {"mass": null, "name": "Ga", "attached"... | [
"Eu",
"Gd",
"Nd",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
1.3576846,
0,
0
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[
0,
1.3576846,
0
],
[
0,
0,
1.3576846
]
] | -32.553264 | [
7.004,
7.341,
0.186,
-0.059
] | [
[
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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
]
] | 15.268057 | 7.227493 | pbe | true | e4040e5aa53fbfd0784903c958a05815_216_Nd1Eu1Gd1Ga1 |
[
"Eu",
"Gd",
"Pb",
"Tl"
] | 4 | ABCD | EuGdPbTl | Eu1 Gd1 Tl1 Pb1 | 4 | [
1,
1,
1
] | 3 | [
[
5.53546799,
0,
0
],
[
2.76773399,
4.7938559,
0
],
[
2.76773399,
1.59795197,
4.51969068
]
] | agm001393446 | [
[
8.303201977499999,
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3.38976801
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[
5.535467985,
3.1959039349999996,
2.25984534
],
[
2.7677339925,
1.5979519674999998,
1.12992267
],
[
0,
0,
0
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] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pb", "attached"... | [
"Pb",
"Eu",
"Tl",
"Gd"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.5563874,
0,
0
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[
0,
4.5563874,
0
],
[
0,
0,
4.5563874
]
] | -32.199565 | [
-0.043,
6.851,
0.001,
7.082
] | [
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0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 14.352983 | 2.794797 | pbe | true | 558130119166be1ac98964202265b048_216_Eu1Gd1Tl1Pb1 |
[
"Eu",
"Ge",
"Hg",
"In"
] | 4 | ABCD | EuGeHgIn | Eu1 In1 Hg1 Ge1 | 4 | [
1,
1,
1
] | 3 | [
[
5.23885571,
0,
0
],
[
2.61942786,
4.53698213,
0
],
[
2.61942786,
1.51232738,
4.27750778
]
] | agm001290131 | [
[
0,
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0
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[
2.6194278575,
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1.069376945
],
[
7.8582835724999995,
4.5369821325,
3.2081308349999995
],
[
5.238855715,
3.0246547550000003,
2.13875389
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "In", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["In"]}, {"mass": null, "name": "Hg", "attached"... | [
"Eu",
"Ge",
"Hg",
"In"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.91271,
0,
0
],
[
0,
2.91271,
0
],
[
0,
0,
2.91271
]
] | -19.166392 | [
6.781,
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-0.01,
-0.016
] | [
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | 6.867297 | 3.069904 | pbe | true | 7fb62ea12ba84ca72d89da731e8c0378_216_Eu1In1Hg1Ge1 |
[
"Eu",
"K",
"O",
"P"
] | 11 | A7B2CD | EuKO7P2 | K1 Eu1 P2 O7 | 4 | [
1,
1,
1
] | 3 | [
[
4.88232667,
0.06021011,
0.08040528
],
[
-0.66343274,
5.91759592,
0.04690107
],
[
-0.66324954,
-1.63134155,
5.68847537
]
] | agm002304118 | [
[
1.7777547512827492,
3.219195792657742,
2.126188439908088
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[
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[
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1.4175105401896526
],
[
1.7779668538370421,
0.26214701560387155,
4.336049099859805
],
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "K", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["K"]}, {"mass": null, "name": "P", "attached": nul... | [
"Eu",
"P",
"P",
"K",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.09090909090909091,
0.09090909090909091,
0.6363636363636364,
0.18181818181818182
] | [
[
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[
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0.46116614,
0.01121086
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[
-0.1480211,
0.01121071,
0.47571874
]
] | -83.829663 | [
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0.004,
0.004,
0,
-0.058,
-0.056,
-0.06,
-0.058,
-0.005,
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] | [
[
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[
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[
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[
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[
0.00170986,
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[
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-0.0041... | 5.992914 | 11.832631 | pbe | true | 0d43ab9853f04583c538b498a347ff7a_5_K1Eu1P2O7 |
[
"Eu",
"Na",
"Pr",
"Tl"
] | 4 | ABCD | EuNaPrTl | Na1 Pr1 Eu1 Tl1 | 4 | [
1,
1,
1
] | 3 | [
[
5.65955897,
0,
0
],
[
2.82977948,
4.90132184,
0
],
[
2.82977948,
1.63377395,
4.62101055
]
] | agm001386825 | [
[
8.4893384475,
4.9013218425,
3.4657579125
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[
2.8297794825,
1.6337739475,
1.1552526375
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[
5.659558965,
3.267547895,
2.310505275
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[
0,
0,
0
]
] | [{"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Pr", "attached"... | [
"Eu",
"Pr",
"Tl",
"Na"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
2.652964,
0,
0
],
[
0,
2.652964,
0
],
[
0,
0,
2.652964
]
] | -19.22688 | [
-6.908,
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0.016,
-0.009
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
]
] | -7.407501 | 11.424727 | pbe | true | 1127020b69dc9c32db31439e99feb69f_216_Na1Pr1Eu1Tl1 |
[
"Eu",
"Na",
"Se",
"Si"
] | 13 | A6B3C2D2 | Eu2Na3Se6Si2 | Na3 Eu2 Si2 Se6 | 4 | [
1,
1,
1
] | 3 | [
[
6.22317261,
3.59506301,
0.0013825
],
[
-6.22317261,
3.59506301,
0.0013825
],
[
0,
2.39603929,
7.55621342
]
] | agm005246859 | [
[
0,
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0
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[
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0.0013825
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[
2.1200680027375998,
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[
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3.77948921
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[
4.151294117758291,
4.793082655,
3.77948921
],
[
6.37728728413677e-17,
4.... | [{"mass": null, "name": "Se", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Se"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Si", "attached"... | [
"Na",
"Na",
"Na",
"Eu",
"Eu",
"Si",
"Si",
"Se",
"Se",
"Se",
"Se",
"Se",
"Se"
] | 2023-11-16 06:57:59 | [
0.15384615384615385,
0.23076923076923078,
0.46153846153846156,
0.15384615384615385
] | [
[
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0
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[
0,
1.0044652,
0.0201736
],
[
0,
0.02017358,
0.8861759
]
] | -70.599615 | [
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6.884,
6.884,
0.04,
0.04,
-0.01,
-0.01,
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] | [
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[
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[
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[
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[
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[
0,
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[
-0.00215707,
0.00094641,
... | 14.491661 | 3.3783 | pbe | true | 9bdd5399d9de9d5ee875d62f82c0e990_12_Na3Eu2Si2Se6 |
[
"Eu",
"Rh",
"Ru",
"Tm"
] | 4 | ABCD | EuRhRuTm | Eu1 Tm1 Ru1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.83942842,
0,
0
],
[
2.41971421,
4.19106795,
0
],
[
2.41971421,
1.39702265,
3.95137676
]
] | agm001314191 | [
[
4.83942842,
2.7940453,
1.97568838
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[
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4.19106795,
2.96353257
],
[
0,
0,
0
],
[
2.41971421,
1.39702265,
0.98784419
]
] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Tm", "attached"... | [
"Eu",
"Ru",
"Tm",
"Rh"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.8583226,
0,
0
],
[
0,
4.8583226,
0
],
[
0,
0,
4.8583226
]
] | -32.600917 | [
6.608,
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0.017,
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] | [
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0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
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[
0,
0,
0
]
] | 6.40273 | 8.472458 | pbe | true | 2f93aad6a5d61c37719950f493154540_216_Eu1Tm1Ru1Rh1 |
[
"F",
"Fe",
"Ga",
"K"
] | 18 | A6BCD | F6FeGaK | K2 Ga2 Fe2 F12 | 4 | [
1,
1,
1
] | 3 | [
[
5.44682454,
0,
0
],
[
-2.72341227,
4.71708842,
0
],
[
0,
0,
11.25508303
]
] | agm005087358 | [
[
0,
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[
0,
0,
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[
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[
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[
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3.1447256290569614,
2.8137707575
],
[
2.7234122972341... | [{"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": "K", "attached": n... | [
"K",
"K",
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"Fe",
"Fe",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.6666666666666666,
0.1111111111111111,
0.1111111111111111,
0.1111111111111111
] | [
[
2.5841022,
0,
0
],
[
0,
2.5841022,
0
],
[
0,
0,
3.2009172
]
] | -90.183878 | [
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0.001,
0.001,
3.805,
3.805,
0.02,
0.02,
0.02,
0.02,
0.02,
0.02,
0.02,
0.02,
0.02,
0.02,
0.02,
0.02
] | [
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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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[
0.00134858,
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],
[
-0.00221657,
0.0002... | 7.999998 | 0 | pbe | true | bde3bf507474e7882f807bf96fb84275_163_K2Ga2Fe2F12 |
[
"F",
"Fe",
"O",
"Se"
] | 5 | A2BCD | F2FeOSe | Fe1 Se1 O1 F2 | 4 | [
1,
1,
1
] | 3 | [
[
4.14835588,
0,
0
],
[
0,
4.14835588,
0
],
[
0,
0,
3.91682304
]
] | agm001699394 | [
[
0,
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1.95841152
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[
0,
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[
2.07417794,
2.07417794,
1.95841152
],
[
0,
2.07417794,
0
],
[
2.07417794,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Fe", "attached": nu... | [
"O",
"Fe",
"Se",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
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0,
0
],
[
0,
8.545908,
0
],
[
0,
0,
0.36186957
]
] | -22.502684 | [
-0.021,
-4.387,
1.515,
0.021,
0.021
] | [
[
0,
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0
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[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -2.125105 | 1.260336 | pbe | true | 5db1c0a843e05e34477b73994c14f484_123_Fe1Se1O1F2 |
[
"F",
"Ga",
"N",
"Sb"
] | 5 | A2BCD | FGaN2Sb | Ga1 Sb1 N2 F1 | 4 | [
1,
1,
1
] | 3 | [
[
3.9916328,
0,
0
],
[
0,
3.9916328,
0
],
[
0,
0,
3.85936619
]
] | agm001718599 | [
[
1.9958164,
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1.929683095
],
[
0,
1.9958164,
0
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[
1.9958164,
0,
0
],
[
0,
0,
0
],
[
0,
0,
1.929683095
]
] | [{"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sb"]}, {"mass": null, "name": "Ga", "attached": ... | [
"Sb",
"N",
"N",
"Ga",
"F"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
1.3481816,
0,
0
],
[
0,
1.3481816,
0
],
[
0,
0,
0.91648203
]
] | -24.827575 | [
-0.01,
0.108,
0.108,
0.01,
-0.002
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.271635 | 2.837239 | pbe | true | 3729e62b607b098fb26d700a1f00fa5f_123_Ga1Sb1N2F1 |
[
"F",
"H",
"N",
"Si"
] | 5 | A2BCD | FHN2Si | Si1 H1 N2 F1 | 4 | [
1,
1,
1
] | 3 | [
[
3.1244609,
0,
0
],
[
0,
3.1244609,
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[
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[
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[
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0.00081... | 2.007275 | 2.798446 | pbe | true | c7f04f85257a11dd14bc0e5861ec2056_74_Rb2Li2Tl2F12 |
[
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[
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1
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[
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[
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"Tl",
"Y"
] | 5 | A2BCD | FN2TlY | Y1 Tl1 N2 F1 | 4 | [
1,
1,
1
] | 3 | [
[
4.27882483,
0,
0
],
[
0,
4.27882483,
0
],
[
0,
0,
4.32752528
]
] | agm001720947 | [
[
2.139412415,
2.139412415,
2.16376264
],
[
0,
0,
0
],
[
0,
2.139412415,
0
],
[
2.139412415,
0,
0
],
[
0,
0,
2.16376264
]
] | [{"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "N", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["N"]}, {"mass": null, "name": "F", "attached": n... | [
"Y",
"Tl",
"N",
"N",
"F"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
0.6461534,
0,
0
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[
0,
0.6461534,
0
],
[
0,
0,
0.8735314
]
] | -27.211775 | [
-0.011,
0.01,
0.089,
0.089,
0
] | [
[
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.234418 | 2.347825 | pbe | true | fa87fdb4a1eb6f7fb1f40a5ad02d22bc_123_Y1Tl1N2F1 |
[
"F",
"O",
"Os",
"Pt"
] | 5 | A2BCD | F2OOsPt | Os1 Pt1 O1 F2 | 4 | [
1,
1,
1
] | 3 | [
[
4.32675031,
0,
0
],
[
0,
4.32675031,
0
],
[
0,
0,
3.69310065
]
] | agm001700720 | [
[
0,
0,
0
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[
0,
0,
1.846550325
],
[
2.163375155,
2.163375155,
1.846550325
],
[
0,
2.163375155,
0
],
[
2.163375155,
0,
0
]
] | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Os", "attached": nu... | [
"Os",
"O",
"Pt",
"F",
"F"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
0.24720208,
0,
0
],
[
0,
0.24720208,
0
],
[
0,
0,
-8.182131
]
] | -25.980577 | [
-0.032,
0.002,
0.033,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.002656 | 3.696024 | pbe | true | 78169cf85219018b0e4deb5731808a61_123_Os1Pt1O1F2 |
[
"F",
"S",
"Sc",
"Tl"
] | 5 | A2BCD | FS2ScTl | Sc1 Tl1 S2 F1 | 4 | [
1,
1,
1
] | 3 | [
[
5.0856521,
0,
0
],
[
0,
5.0856521,
0
],
[
0,
0,
4.07906579
]
] | agm001610225 | [
[
0,
0,
0
],
[
2.54282605,
2.54282605,
2.039532895
],
[
0,
2.54282605,
0
],
[
2.54282605,
0,
0
],
[
0,
0,
2.039532895
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Tl", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tl"]}, {"mass": null, "name": "Sc", "attached": ... | [
"Sc",
"Tl",
"S",
"S",
"F"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
0.34842268,
0,
0
],
[
0,
0.34842268,
0
],
[
0,
0,
0.29528195
]
] | -26.93867 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000162 | 2.631458 | pbe | true | 4ac340e1974c107ddaead2e1fac37f7a_123_Sc1Tl1S2F1 |
[
"F",
"Si",
"Sr",
"Zr"
] | 5 | A2BCD | FSiSrZr2 | Sr1 Zr2 Si1 F1 | 4 | [
1,
1,
1
] | 3 | [
[
4.45287824,
0,
0
],
[
0,
5.63635892,
0
],
[
0,
0,
4.45287824
]
] | agm001520982 | [
[
2.22643912,
2.81817946,
2.22643912
],
[
0,
2.81817946,
0
],
[
0,
0,
2.22643912
],
[
2.22643912,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "F", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["F"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Sr",
"Si",
"Zr",
"Zr",
"F"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.03487921,
0,
0
],
[
0,
2.6277907,
0
],
[
0,
0,
0.03487921
]
] | -28.314197 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 5.352564 | pbe | true | 608fc060b83088e770e174235dce6151_123_Sr1Zr2Si1F1 |
[
"Fe",
"Ga",
"Pm",
"Pt"
] | 10 | A4B3C2D | FeGa4Pm2Pt3 | Pm2 Ga4 Fe1 Pt3 | 4 | [
1,
1,
1
] | 3 | [
[
4.17796417,
0,
0
],
[
0,
4.17796417,
0
],
[
0,
0,
10.85817578
]
] | agm004518118 | [
[
2.088982085,
0,
2.755477096055444
],
[
0,
2.088982085,
8.102698683944555
],
[
2.088982085,
2.088982085,
0
],
[
0,
0,
0
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[
2.088982085,
0,
6.846833060943859
],
[
0,
2.088982085,
4.011342719056141
],
[
2.088982085,... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pm", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pm"]}, {"mass": null, "name": "Pt", "attached"... | [
"Pm",
"Pm",
"Ga",
"Ga",
"Ga",
"Ga",
"Fe",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.1,
0.4,
0.2,
0.3
] | [
[
3.8863108,
0,
0
],
[
0,
3.8863108,
0
],
[
0,
0,
3.9043486
]
] | -56.180448 | [
0.003,
0.003,
0.011,
0.014,
-0.047,
-0.047,
2.507,
0.024,
0.018,
0.018
] | [
[
0,
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[
0,
0,
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
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[
0,
0,
0.00646531
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
-0.00116095
],
[
0... | 2.557811 | 7.37181 | pbe | true | 399c35487c349824cfe9eb35f99c41eb_115_Pm2Ga4Fe1Pt3 |
[
"Fe",
"Ga",
"Re",
"Sc"
] | 5 | A2BCD | FeGaReSc2 | Sc2 Ga1 Fe1 Re1 | 4 | [
1,
1,
1
] | 3 | [
[
4.59290263,
0,
0
],
[
0,
4.48539191,
0
],
[
0,
0,
4.59290263
]
] | agm001575205 | [
[
0,
0,
2.296451315
],
[
2.296451315,
0,
0
],
[
2.296451315,
2.242695955,
2.296451315
],
[
0,
0,
0
],
[
0,
2.242695955,
0
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Re", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Re"]}, {"mass": null, "name": "Sc", "attached"... | [
"Sc",
"Sc",
"Re",
"Fe",
"Ga"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
3.715306,
0,
0
],
[
0,
4.8572516,
0
],
[
0,
0,
3.715306
]
] | -33.577581 | [
-0.128,
-0.133,
1.74,
0.645,
-0.014
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.285802 | 4.108684 | pbe | true | e00a6633950682556905c04aec85ad31_123_Sc2Ga1Fe1Re1 |
[
"Fe",
"Ge",
"I",
"Sn"
] | 5 | A2BCD | FeGe2ISn | Fe1 Sn1 Ge2 I1 | 4 | [
1,
1,
1
] | 3 | [
[
5.62005389,
0,
0
],
[
0,
4.73694727,
0
],
[
0,
0,
5.62005389
]
] | agm001431854 | [
[
0,
0,
0
],
[
0,
0,
2.810026945
],
[
2.810026945,
0,
0
],
[
2.810026945,
2.368473635,
2.810026945
],
[
0,
2.368473635,
0
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Fe", "attached"... | [
"I",
"Ge",
"Ge",
"Sn",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
-10.625868,
0,
0
],
[
0,
-41.73151,
0
],
[
0,
0,
-10.625868
]
] | -16.631281 | [
0.01,
-0.028,
-0.06,
0.042,
0.106
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.031659 | 7.281954 | pbe | true | 889a9eb1c51d102358ab830a22b0dc8a_123_Fe1Sn1Ge2I1 |
[
"Fe",
"Ge",
"Ir",
"Tc"
] | 4 | ABCD | FeGeIrTc | Fe1 Tc1 Ge1 Ir1 | 4 | [
1,
1,
1
] | 3 | [
[
4.27775506,
0,
0
],
[
2.13887753,
3.70464455,
0
],
[
2.13887753,
1.23488152,
3.49277238
]
] | agm001288740 | [
[
2.13887753,
1.2348815174999999,
0.873193095
],
[
0,
0,
0
],
[
4.27775506,
2.4697630349999997,
1.74638619
],
[
6.416632589999999,
3.7046445525,
2.619579285
]
] | [{"mass": null, "name": "Ge", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ge"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Tc", "attached"... | [
"Ge",
"Ir",
"Tc",
"Fe"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.2581935,
0,
0
],
[
0,
4.2581935,
0
],
[
0,
0,
4.2581935
]
] | -32.668176 | [
0.045,
0.331,
0.294,
2.874
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.620049 | 3.057746 | pbe | true | 8d53321064cac00f86cf9a25fc0b1c6b_216_Fe1Tc1Ge1Ir1 |
[
"Fe",
"Hf",
"O",
"Tb"
] | 10 | A6B2CD | Fe2HfO6Tb | Tb1 Hf1 Fe2 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.39968847,
0.00928154,
-0.0482368
],
[
2.7079061,
4.68882131,
-0.00959997
],
[
2.65876669,
1.58108889,
4.86922115
]
] | agm004954135 | [
[
8.057565458880942,
4.696703722912516,
2.811558775721634
],
[
2.694043187389898,
1.5703187098595963,
0.26151307212672936
],
[
5.392208749490867,
3.1567676803715514,
2.0430652168300996
],
[
2.6519162685125344,
1.5785161454112024,
4.622658004773979
],
[... | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Fe", "attached"... | [
"Tb",
"Hf",
"Fe",
"Fe",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.1,
0.6,
0.1
] | [
[
1.1903894,
0.00580538,
0.01111768
],
[
0.00580567,
1.1523755,
-0.00059663
],
[
0.0111177,
-0.00059656,
1.2400455
]
] | -81.386192 | [
0.018,
0.023,
3.786,
4.329,
0.095,
0.096,
0.092,
0.127,
0.126,
0.125
] | [
[
0.00155875,
-0.00096683,
0.00094594
],
[
-0.00077691,
0.00053806,
-0.00012093
],
[
0.00102549,
-0.0000372,
0.00035041
],
[
-0.0015294,
0.00010526,
-0.00135188
],
[
0.00050803,
0.00089478,
-0.00117227
],
[
0.00173825,
-0.000185... | 9.008098 | 0 | pbe | true | 7ee30bd01ea0c5d06cf47a3de17bc5d8_1_Tb1Hf1Fe2O6 |
[
"Fe",
"Hf",
"Pd",
"Zr"
] | 5 | A2BCD | FeHf2PdZr | Hf2 Zr1 Fe1 Pd1 | 4 | [
1,
1,
1
] | 3 | [
[
4.92645902,
0,
0
],
[
0,
5.00388081,
0
],
[
0,
0,
4.92645902
]
] | agm001524244 | [
[
0,
0,
2.46322951
],
[
2.46322951,
0,
0
],
[
0,
2.501940405,
0
],
[
0,
0,
0
],
[
2.46322951,
2.501940405,
2.46322951
]
] | [{"mass": null, "name": "Hf", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hf"]}, {"mass": null, "name": "Zr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Zr"]}, {"mass": null, "name": "Fe", "attached"... | [
"Hf",
"Hf",
"Zr",
"Pd",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
3.0458312,
0,
0
],
[
0,
3.3297918,
0
],
[
0,
0,
3.0458312
]
] | -36.810157 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.00021 | 11.051003 | pbe | true | 0709d78ba5722b0657f0cd40e2592a64_123_Hf2Zr1Fe1Pd1 |
[
"Fe",
"I",
"Sb",
"Ta"
] | 5 | A2BCD | FeI2SbTa | Ta1 Fe1 Sb1 I2 | 4 | [
1,
1,
1
] | 3 | [
[
4.99036832,
0,
0
],
[
0,
4.99036832,
0
],
[
0,
0,
4.97506877
]
] | agm001711053 | [
[
0,
2.49518416,
0
],
[
2.49518416,
0,
0
],
[
0,
0,
2.487534385
],
[
0,
0,
0
],
[
2.49518416,
2.49518416,
2.487534385
]
] | [{"mass": null, "name": "Ta", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ta"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sb", "attached"... | [
"I",
"I",
"Sb",
"Fe",
"Ta"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
1.0898865,
0,
0
],
[
0,
1.0898865,
0
],
[
0,
0,
1.1529516
]
] | -21.069354 | [
0,
0,
-0.001,
0.014,
0.004
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.016823 | 8.229999 | pbe | true | 985151856e8626b050285966643b650f_123_Ta1Fe1Sb1I2 |
[
"Fe",
"I",
"Sb",
"Y"
] | 5 | A2BCD | FeISb2Y | Y1 Fe1 Sb2 I1 | 4 | [
1,
1,
1
] | 3 | [
[
5.86308909,
0,
0
],
[
0,
5.86308909,
0
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[
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-2.17792304,
3.14171841
],
[
1.8960865150000001,
1.1050092999999999,
3.12963851
],
[
-1.89630056,
1.1052530199... | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Pa", "attached": ... | [
"Li",
"Li",
"Li",
"Pa",
"Pa",
"Pa",
"Fe",
"S",
"S",
"S",
"S",
"S",
"S",
"S",
"S"
] | 2023-11-16 06:57:59 | [
0.06666666666666667,
0.2,
0.2,
0.5333333333333333
] | [
[
-0.01035871,
0.01762725,
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[
0.01762714,
0.07435227,
0.01451248
],
[
-0.01252312,
0.01451256,
-0.0673612
]
] | -95.037537 | [
0,
0,
0,
0.7,
0.697,
0.698,
3.079,
-0.022,
-0.022,
0.011,
0.011,
0.011,
0.011,
0.011,
0.011
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[
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[
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[
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[
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[
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[
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[
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[
0.00049465,
-0.00178236,
-0.00629835
],
... | 5.817002 | 24.708038 | pbe | true | 124b06f4b3042175a8bee9089d57950a_166_Li3Pa3Fe1S8 |
[
"Fe",
"Mg",
"Na",
"Sn"
] | 5 | A2BCD | FeMgNaSn2 | Na1 Mg1 Fe1 Sn2 | 4 | [
1,
1,
1
] | 3 | [
[
4.93548579,
0,
0
],
[
0,
4.93548579,
0
],
[
0,
0,
4.97587264
]
] | agm001670035 | [
[
2.467742895,
2.467742895,
2.48793632
],
[
0,
0,
2.48793632
],
[
0,
2.467742895,
0
],
[
2.467742895,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Sn"]}, {"mass": null, "name": "Na", "attached"... | [
"Na",
"Mg",
"Sn",
"Sn",
"Fe"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
6.349218,
0,
0
],
[
0,
6.349218,
0
],
[
0,
0,
6.3824925
]
] | -19.274717 | [
0.018,
-0.023,
-0.014,
-0.014,
1.165
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 1.190432 | 2.124046 | pbe | true | f10e058f619e377e39d065418d6a9e30_123_Na1Mg1Fe1Sn2 |
[
"Fe",
"Mg",
"Na",
"Ti"
] | 5 | A2BCD | FeMgNa2Ti | Na2 Mg1 Ti1 Fe1 | 4 | [
1,
1,
1
] | 3 | [
[
5.42914024,
0,
0
],
[
0,
4.20634542,
0
],
[
0,
0,
5.42914024
]
] | agm001443012 | [
[
0,
0,
2.71457012
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[
2.71457012,
0,
0
],
[
2.71457012,
2.10317271,
2.71457012
],
[
0,
0,
0
],
[
0,
2.10317271,
0
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Na", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Na"]}, {"mass": null, "name": "Mg", "attached"... | [
"Na",
"Na",
"Mg",
"Fe",
"Ti"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
] | [
[
3.1004722,
0,
0
],
[
0,
-1.2134244,
0
],
[
0,
0,
3.1004722
]
] | -16.65359 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0.000178 | 4.692938 | pbe | true | 9bd30bf9d411a363025df58cba2f44eb_123_Na2Mg1Ti1Fe1 |
[
"Fe",
"Mg",
"Pt",
"Si"
] | 4 | ABCD | FeMgPtSi | Fe1 Mg1 Pt1 Si1 | 4 | [
1,
1,
1
] | 3 | [
[
0,
3.071248,
3.071248
],
[
3.071248,
0,
3.071248
],
[
3.071248,
3.071248,
0
]
] | oqmd-2651605 | [
[
4.606869999999998,
4.606869999999998,
4.606869999999998
],
[
1.5356200000000018,
1.5356200000000018,
1.5356200000000018
],
[
3.0712500000000023,
3.0712500000000023,
3.0712500000000023
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Mg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mg"]}, {"mass": null, "name": "Pt", "attached"... | [
"Fe",
"Mg",
"Pt",
"Si"
] | 2024-11-01 00:00:00 | [
0.25,
0.25,
0.25,
0.25
] | [
[
3.62754,
0,
0
],
[
0,
3.62754,
0
],
[
0,
0,
3.62754
]
] | -21.9177 | [
0,
0,
0,
0
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.45873 | null | pbe | true | 8eb24bfe6a3e5b27b336358a5fd431c0_216_Mg1Fe1Si1Pt1 |
[
"Fe",
"Mn",
"O",
"Te"
] | 20 | A6B2CD | Fe2MnO6Te | Mn2 Fe4 Te2 O12 | 4 | [
1,
1,
1
] | 3 | [
[
5.42378652,
0,
-0.00485876
],
[
0,
5.42310192,
0
],
[
0.03915645,
0,
7.85742702
]
] | agm004949787 | [
[
2.71189326,
0,
-0.00242938
],
[
0.019578225,
2.71155096,
3.92871351
],
[
5.394648247731014,
5.2600757754800735,
2.161405840407324
],
[
2.702333212731013,
2.8745771045199264,
6.092548730407324
],
[
0.06829472226898681,
0.1630261445199264,
... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": ... | [
"Mn",
"Mn",
"Fe",
"Fe",
"Fe",
"Fe",
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"Te",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.2,
0.1,
0.6,
0.1
] | [
[
1.3360127,
0,
-0.09937889
],
[
0,
1.4031671,
0
],
[
-0.09937855,
0,
1.5562402
]
] | -130.079947 | [
4.619,
4.619,
3.767,
3.767,
3.767,
3.767,
0.043,
0.043,
0.059,
0.059,
0.059,
0.059,
0.055,
0.055,
0.055,
0.055,
0.065,
0.065,
0.065,
0.065
] | [
[
0,
0,
0
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[
0,
0,
0
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[
0.00015103,
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[
0.00015103,
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[
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0.00136221
],
[
-0.00015103,
-0.00145837,
0.00136221
],
[
0,
0,
0
],
... | 25.93613 | -0.018454 | pbe | true | 230e9347258d419e6839edcfd1567b11_14_Mn2Fe4Te2O12 |
[
"Fe",
"Mn",
"N",
"Ni"
] | 5 | A2BCD | Fe2MnNNi | Mn1 Fe2 Ni1 N1 | 4 | [
1,
1,
1
] | 3 | [
[
3.76930308,
0,
0
],
[
0,
3.76930308,
0
],
[
0,
0,
3.83439439
]
] | agm001626794 | [
[
1.88465154,
1.88465154,
1.917197195
],
[
0,
0,
1.917197195
],
[
0,
1.88465154,
0
],
[
1.88465154,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ni", "attached"... | [
"Ni",
"Mn",
"Fe",
"Fe",
"N"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
1.5670217,
0,
0
],
[
0,
1.5670217,
0
],
[
0,
0,
2.194236
]
] | -40.604919 | [
0.872,
2.739,
2.339,
2.339,
-0.034
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 8.175117 | 5.447232 | pbe | true | 40b47a87b41e2932a29f918189bfd2f4_123_Mn1Fe2Ni1N1 |
[
"Fe",
"Mn",
"Sb",
"Te"
] | 5 | A2BCD | FeMnSbTe2 | Mn1 Fe1 Sb1 Te2 | 4 | [
1,
1,
1
] | 3 | [
[
4.9667723,
0,
0
],
[
0,
4.9667723,
0
],
[
0,
0,
4.7466203
]
] | agm001807320 | [
[
0,
0,
2.37331015
],
[
0,
2.48338615,
0
],
[
2.48338615,
0,
0
],
[
0,
0,
0
],
[
2.48338615,
2.48338615,
2.37331015
]
] | [{"mass": null, "name": "Mn", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Mn"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Sb", "attached"... | [
"Sb",
"Te",
"Te",
"Fe",
"Mn"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
66.29618,
0,
0
],
[
0,
66.29618,
0
],
[
0,
0,
68.8734
]
] | -24.674054 | [
-0.056,
-0.083,
-0.083,
-1.53,
4.241
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 2.683699 | 4.695899 | pbe | true | e232a90ae1846c4949bc6b2446f05388_123_Mn1Fe1Sb1Te2 |
[
"Fe",
"N",
"P",
"S"
] | 5 | A2BCD | FeNPS2 | Fe1 P1 S2 N1 | 4 | [
1,
1,
1
] | 3 | [
[
4.25235146,
0,
0
],
[
0,
4.25235146,
0
],
[
0,
0,
3.79192783
]
] | agm001777208 | [
[
0,
0,
1.895963915
],
[
0,
2.12617573,
0
],
[
2.12617573,
0,
0
],
[
2.12617573,
2.12617573,
1.895963915
],
[
0,
0,
0
]
] | [{"mass": null, "name": "S", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["S"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "N", "attached": n... | [
"P",
"S",
"S",
"Fe",
"N"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.2,
0.4
] | [
[
0.2864222,
0,
0
],
[
0,
0.2864222,
0
],
[
0,
0,
0.3894288
]
] | -24.848486 | [
-0.112,
0.033,
0.033,
3.159,
-0.053
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.004052 | 4.446755 | pbe | true | 3bebafdfb580692c650b4e65a428d2d4_123_Fe1P1S2N1 |
[
"Fe",
"Na",
"O",
"Pt"
] | 11 | A6B2C2D | FeNa2O6Pt2 | Na2 Fe1 Pt2 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.49584991,
-0.08751605,
0.06102737
],
[
-2.79244228,
4.73437339,
0.06102737
],
[
-0.95675941,
-1.64456312,
5.38929567
]
] | agm004580617 | [
[
4.141435798535983,
0.7004430315264593,
0.06102737
],
[
-1.4380281685359833,
3.946414308473541,
0.06102737
],
[
-0.478379705,
-0.82228156,
2.694647835
],
[
-0.49384758945163054,
2.2965281884091904,
2.755675205
],
[
2.2404958094516303,
0.705766... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Na", "attached": ... | [
"Na",
"Na",
"Fe",
"Pt",
"Pt",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.09090909090909091,
0.18181818181818182,
0.5454545454545454,
0.18181818181818182
] | [
[
1.6223358,
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0.02761414
],
[
-0.32679355,
1.250733,
0.04746564
],
[
0.02761421,
0.04746575,
1.5713757
]
] | -61.801911 | [
0.001,
0.001,
3.761,
0.005,
0.005,
0.024,
0.025,
0.024,
0.025,
0.025,
0.025
] | [
[
-0.00128469,
0.0007474,
0
],
[
0.00128469,
-0.0007474,
0
],
[
0,
0,
0
],
[
-0.0017822,
0.00103683,
0
],
[
0.0017822,
-0.00103683,
0
],
[
-0.00149436,
-0.00256863,
0.00297266
],
[
0.00140438,
0.00018351,
-0.... | 4.002582 | -0.000596 | pbe | true | c87925e7e062d6d2175fc97dbc896e84_12_Na2Fe1Pt2O6 |
[
"Fe",
"Nb",
"Pt",
"Ru"
] | 4 | ABCD | FeNbPtRu | Nb1 Fe1 Ru1 Pt1 | 4 | [
1,
1,
1
] | 3 | [
[
4.4200238,
0,
0
],
[
2.2100119,
3.8278529,
0
],
[
2.2100119,
1.27595097,
3.60893432
]
] | agm001909034 | [
[
4.4200238,
2.551901935,
1.80446716
],
[
6.6300357000000005,
3.8278529025,
2.70670074
],
[
2.2100119,
1.2759509675,
0.90223358
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Nb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Nb"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Ru", "attached"... | [
"Ru",
"Nb",
"Fe",
"Pt"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.297247,
0,
0
],
[
0,
4.297247,
0
],
[
0,
0,
4.297247
]
] | -34.376651 | [
0.514,
-0.23,
2.917,
-0.029
] | [
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 3.178467 | 5.450459 | pbe | true | 9a0b0e9d772a296190e319dfd24e45d2_216_Nb1Fe1Ru1Pt1 |
[
"Fe",
"O",
"Pr",
"Rh"
] | 10 | A6B2CD | FeO6Pr2Rh | Pr2 Fe1 Rh1 O6 | 4 | [
1,
1,
1
] | 3 | [
[
5.48796963,
-0.02701185,
-0.01941715
],
[
2.54275098,
4.86342977,
-0.01941654
],
[
2.54275097,
1.53134439,
4.61609183
]
] | agm002298955 | [
[
7.9379100137658964,
4.78052067962733,
3.4363220280236226
],
[
2.635561566234105,
1.5872416303726702,
1.1409361119763777
],
[
0,
0,
0
],
[
5.28673579,
3.183881155,
2.2886290700000003
],
[
4.173397917183652,
3.858601919489424,
0.75141822887... | [{"mass": null, "name": "O", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["O"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pr", "attached": ... | [
"Pr",
"Pr",
"Rh",
"Fe",
"O",
"O",
"O",
"O",
"O",
"O"
] | 2023-11-16 06:57:59 | [
0.1,
0.6,
0.2,
0.1
] | [
[
1.3970262,
0.45059183,
0.32401085
],
[
0.45059207,
0.92089325,
0.19499351
],
[
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] | -74.71343 | [
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0.162,
4.264,
0.079,
0.079,
0.079,
0.079,
0.079,
0.079
] | [
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[
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[
-0.00309007,
0.00174... | 5.000035 | 0 | pbe | true | c4461ee789428440320186c6cf59ce77_148_Pr2Fe1Rh1O6 |
[
"Fe",
"Pb",
"S",
"Sn"
] | 5 | A2BCD | Fe2PbSSn | Fe2 Sn1 Pb1 S1 | 4 | [
1,
1,
1
] | 3 | [
[
4.35119775,
0,
0
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[
0,
5.69657046,
0
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[
0,
0,
4.35119775
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] | agm001452448 | [
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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": "Pb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pb"]}, {"mass": null, "name": "Fe", "attached": ... | [
"Pb",
"S",
"Sn",
"Fe",
"Fe"
] | 2023-11-16 06:57:59 | [
0.4,
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[
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] | -26.606172 | [
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[
0,
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[
0,
0,
0
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] | 4.930486 | 8.773106 | pbe | true | 568309242a65f6696890145f47d4c2b1_123_Fe2Sn1Pb1S1 |
[
"Fe",
"Pm",
"Pt",
"Si"
] | 10 | A4B3C2D | FePm2Pt4Si3 | Pm2 Fe1 Si3 Pt4 | 4 | [
1,
1,
1
] | 3 | [
[
4.24281864,
0,
0
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[
0,
4.24281864,
0
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[
0,
0,
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] | agm004515507 | [
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[
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[
2... | [{"mass": null, "name": "Pt", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pt"]}, {"mass": null, "name": "Fe", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Fe"]}, {"mass": null, "name": "Pm", "attached"... | [
"Pm",
"Pm",
"Fe",
"Si",
"Si",
"Si",
"Pt",
"Pt",
"Pt",
"Pt"
] | 2023-11-16 06:57:59 | [
0.1,
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[
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[
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] | -68.245477 | [
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2.781,
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[
0,
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[
0... | 2.880525 | 6.930139 | pbe | true | 14a6fe861c2819a1145f2a484ebe1cae_115_Pm2Fe1Si3Pt4 |
[
"Ga",
"Gd",
"La",
"Tm"
] | 4 | ABCD | GaGdLaTm | La1 Gd1 Tm1 Ga1 | 4 | [
1,
1,
1
] | 3 | [
[
5.41290057,
0,
0
],
[
2.70645028,
4.6877094,
0
],
[
2.70645028,
1.5625698,
4.41961481
]
] | agm001365616 | [
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[
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[
2.7064502825,
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[
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] | [{"mass": null, "name": "Gd", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Gd"]}, {"mass": null, "name": "La", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["La"]}, {"mass": null, "name": "Tm", "attached"... | [
"Gd",
"Tm",
"Ga",
"La"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
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[
0,
1.1671399,
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[
0,
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] | -27.056711 | [
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0,
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0
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[
0,
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[
0,
0,
0
]
] | -8.237673 | 4.386748 | pbe | true | 8a3c45baa6385706090e5017c1adbcef_216_La1Gd1Tm1Ga1 |
[
"Ga",
"H",
"Ru",
"Sr"
] | 5 | A2BCD | GaHRu2Sr | Sr1 Ga1 Ru2 H1 | 4 | [
1,
1,
1
] | 3 | [
[
4.57459376,
0,
0
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[
0,
5.76295252,
0
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[
0,
0,
4.57459376
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] | agm001454084 | [
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[
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] | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Ru", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ru"]}, {"mass": null, "name": "Sr", "attached": ... | [
"Ru",
"Ru",
"H",
"Ga",
"Sr"
] | 2023-11-16 06:57:59 | [
0.2,
0.2,
0.4,
0.2
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0
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[
0,
36.205482,
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[
0,
0,
10.668212
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] | -20.698066 | [
1.273,
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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
]
] | 2.558558 | 3.994188 | pbe | true | 09cecd64efb66e4db58c3ccddf64d685_123_Sr1Ga1Ru2H1 |
[
"Ga",
"H",
"Pr",
"Ru"
] | 10 | A2BCD | GaH2PrRu | Pr2 Ga2 H4 Ru2 | 4 | [
1,
1,
1
] | 3 | [
[
3.96591594,
0,
0
],
[
-1.98295797,
5.47155272,
0
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[
0,
0,
6.13973273
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] | agm005008378 | [
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[
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[
1.9829579700000004,
0.7944233844700975,
1.5349331825
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[
-... | [{"mass": null, "name": "H", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["H"]}, {"mass": null, "name": "Pr", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Pr"]}, {"mass": null, "name": "Ru", "attached": ... | [
"Pr",
"Pr",
"Ga",
"Ga",
"H",
"H",
"H",
"H",
"Ru",
"Ru"
] | 2023-11-16 06:57:59 | [
0.2,
0.4,
0.2,
0.2
] | [
[
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0
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[
0,
5.028337,
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[
0,
0,
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] | -52.918022 | [
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0,
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[
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[
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[
0,
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[
0,
-0.00297633,
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[
0,
0.0029... | 0.000003 | 2.525255 | pbe | true | 15ada8e7b5613d889d65dd3111a65202_63_Pr2Ga2H4Ru2 |
[
"Ga",
"Hg",
"Ho",
"Te"
] | 16 | A8B4C3D | Ga3HgHo8Te4 | Ho8 Ga3 Hg1 Te4 | 4 | [
1,
1,
1
] | 3 | [
[
8.20488943,
0,
0
],
[
0,
8.90846249,
0.4902291
],
[
-4.10244471,
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5.80461316
]
] | agm004730969 | [
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[
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0.2838767806734508,
3.099232771800341
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[
2.014161328159252,
2.523590431349779,
6.103400611019543
],... | [{"mass": null, "name": "Hg", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Hg"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Te", "attached"... | [
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"Ho",
"Ho",
"Ho",
"Ho",
"Ga",
"Ga",
"Ga",
"Hg",
"Te",
"Te",
"Te",
"Te"
] | 2023-11-16 06:57:59 | [
0.1875,
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0.5,
0.25
] | [
[
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0
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[
0,
0.92501736,
0.03409722
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[
0,
0.03409736,
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] | -72.900438 | [
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[
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[
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-0.00046093
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[
0,
-0.00012235,
-0.00006221
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[
... | 0 | 7.128466 | pbe | true | 0e010a9d5853041c31da64ce9a20771c_166_Ho8Ga3Hg1Te4 |
[
"Ga",
"Ho",
"Rh",
"Tm"
] | 4 | ABCD | GaHoRhTm | Ho1 Tm1 Ga1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
3.82576361,
0,
0
],
[
0,
4.32427253,
0
],
[
-1.91288181,
0,
5.30302209
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] | agm005207845 | [
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[
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0,
4.522382768708415
]
] | [{"mass": null, "name": "Rh", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Rh"]}, {"mass": null, "name": "Ho", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ho"]}, {"mass": null, "name": "Tm", "attached"... | [
"Ho",
"Tm",
"Ga",
"Rh"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
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0
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[
0,
4.105463,
0
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[
0,
0,
3.5999455
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] | -22.453024 | [
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[
0,
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[
0,
0,
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[
0,
0,
-0.0000062
]
] | -0.000018 | 2.651454 | pbe | true | 52e55ad263550f9b6b496a945c4fae51_38_Ho1Tm1Ga1Rh1 |
[
"Ga",
"Ir",
"Ni",
"Tm"
] | 10 | A4B3C2D | Ga4Ir3NiTm2 | Tm2 Ga4 Ni1 Ir3 | 4 | [
1,
1,
1
] | 3 | [
[
3.97051055,
0,
0
],
[
0,
3.97051055,
0
],
[
0,
0,
11.12068995
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] | agm004530915 | [
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[
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[
0,
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[
1.985255275... | [{"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Tm", "attached"... | [
"Tm",
"Tm",
"Ga",
"Ga",
"Ga",
"Ga",
"Ni",
"Ir",
"Ir",
"Ir"
] | 2023-11-16 06:57:59 | [
0.4,
0.3,
0.1,
0.2
] | [
[
-0.5996603,
0,
0
],
[
0,
-0.5996603,
0
],
[
0,
0,
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] | -60.122161 | [
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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
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[
0,
0,
0
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[
0,
0,
0.00471927
],
[
0,... | -0.000015 | 4.865353 | pbe | true | 6386667872aef1205dfa25ca7305f548_115_Tm2Ga4Ni1Ir3 |
[
"Ga",
"Ir",
"Rh",
"Tb"
] | 4 | ABCD | GaIrRhTb | Tb1 Ga1 Ir1 Rh1 | 4 | [
1,
1,
1
] | 3 | [
[
4.59416243,
0,
0
],
[
2.29708122,
3.97866138,
0
],
[
2.29708122,
1.32622046,
3.75111792
]
] | agm001361755 | [
[
0,
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[
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[
6.8912436525,
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2.81333844
],
[
2.2970812174999997,
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] | [{"mass": null, "name": "Tb", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Tb"]}, {"mass": null, "name": "Ir", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ir"]}, {"mass": null, "name": "Rh", "attached"... | [
"Rh",
"Ir",
"Tb",
"Ga"
] | 2023-11-16 06:57:59 | [
0.25,
0.25,
0.25,
0.25
] | [
[
4.877252,
0,
0
],
[
0,
4.877252,
0
],
[
0,
0,
4.877252
]
] | -26.547537 | [
0,
0,
0,
0
] | [
[
0,
0,
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | -0.000003 | 0.986433 | pbe | true | 3d04a550858edf8f6b2bd0b190e9a57d_216_Tb1Ga1Ir1Rh1 |
[
"Ga",
"Li",
"Mg",
"Ni"
] | 5 | A2BCD | Ga2LiMgNi | Li1 Mg1 Ga2 Ni1 | 4 | [
1,
1,
1
] | 3 | [
[
4.44900951,
0,
0
],
[
0,
4.19438129,
0
],
[
0,
0,
4.44900951
]
] | agm001447707 | [
[
0,
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0
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[
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[
0,
0,
2.224504755
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[
2.224504755,
0,
0
],
[
0,
0,
0
]
] | [{"mass": null, "name": "Li", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Li"]}, {"mass": null, "name": "Ni", "attached": null, "nattached": null, "concentration": [1], "original_name": null, "chemical_symbols": ["Ni"]}, {"mass": null, "name": "Mg", "attached"... | [
"Ni",
"Mg",
"Ga",
"Ga",
"Li"
] | 2023-11-16 06:57:59 | [
0.4,
0.2,
0.2,
0.2
] | [
[
-2.7361765,
0,
0
],
[
0,
-1.9568639,
0
],
[
0,
0,
-2.7361765
]
] | -13.926662 | [
0,
0,
0,
0,
0
] | [
[
0,
0,
0
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[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
],
[
0,
0,
0
]
] | 0 | 2.333767 | pbe | true | 2e0f1506eb7cfbf6e1a77006f6393385_123_Li1Mg1Ga2Ni1 |
[
"Ga",
"Li",
"Nd",
"Y"
] | 7 | A2B2C2D | Ga2Li2NdY2 | Li2 Nd1 Y2 Ga2 | 4 | [
1,
1,
1
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