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"created_at": "2022-09-04T14:38:34.140582Z",
"updated_at": "2022-09-04T14:38:34.140612Z",
"structure_string": "Y1 Al8 Fe4\n1.0\n4.669912 -0.000000 1.902025\n2.334956 6.147873 0.951013\n0.015939 -0.000000 6.644737\nY Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Y\n0.339599 0.660401 0.660401 Al\n0.000001 0.339598 0.660401 Al\n0.000001 0.660401 0.339598 Al\n0.660402 0.339598 0.339598 Al\n0.278480 0.221520 0.221520 Al\n0.500001 0.778479 0.221520 Al\n0.500000 0.221520 0.778479 Al\n0.721521 0.778479 0.778479 Al\n0.500000 0.000000 0.500000 Fe\n0.000001 0.500000 -0.000000 Fe\n0.500000 0.500000 -0.000001 Fe\n0.000000 0.000000 0.500000 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Y",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Y",
"density": 4.601609633562699,
"density_atomic": 0.06821132430755551,
"volume": 190.58419011753506,
"volume_molar": 8.828652457833824,
"formula_full": "Y1 Al8 Fe4",
"formula_reduced": "Y(Al2Fe)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.815534603846154,
"spacegroup": 139
}
]
}