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{
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"id": "mp-1207708",
"created_at": "2022-09-04T14:42:01.125938Z",
"structure_string": "Y1 Al4 Fe8\n1.0\n-4.245787 4.245787 2.470069\n4.245787 -4.245787 2.470069\n4.245787 4.245787 -2.470069\nY Al Fe\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.345095 0.000000 0.345095 Al\n0.654905 0.000000 0.654905 Al\n0.000000 0.345095 0.345095 Al\n0.000000 0.654905 0.654905 Al\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.267196 0.500000 0.767196 Fe\n0.732804 0.500000 0.232804 Fe\n0.500000 0.267196 0.767196 Fe\n0.500000 0.732804 0.232804 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Y",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Y",
"density": 6.000317829743025,
"density_atomic": 0.07298907668704235,
"volume": 178.10884299496655,
"volume_molar": 8.250742485510989,
"formula_full": "Y1 Al4 Fe8",
"formula_reduced": "Y(AlFe2)4",
"formula_anonymous": "AB4C8",
"energy": -92.19968647,
"energy_per_atom": -7.092283574615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.19968647,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.011301,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.335000Z",
"spacegroup": 139
}
]
}