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"updated_at": "2022-09-04T14:37:19.954701Z",
"structure_string": "Al8 Bi4 Se16\n1.0\n7.836838 0.000000 0.000000\n0.000000 7.836838 0.000000\n0.000000 -0.000000 12.583271\nAl Bi Se\n8 4 16\ndirect\n0.000000 0.500000 0.250000 Al\n0.000000 0.500000 0.500000 Al\n0.000000 0.500000 0.750000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.500000 0.000000 0.250000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.626323 Bi\n0.500000 0.500000 0.873677 Bi\n0.500000 0.500000 0.126323 Bi\n0.000000 0.000000 0.373677 Bi\n0.840547 0.673146 0.124698 Se\n0.159453 0.673146 0.875302 Se\n0.673146 0.840547 0.875302 Se\n0.173146 0.659453 0.375302 Se\n0.673146 0.159453 0.124698 Se\n0.826854 0.659453 0.624698 Se\n0.826854 0.340547 0.375302 Se\n0.326854 0.159453 0.875302 Se\n0.173146 0.340547 0.624698 Se\n0.326854 0.840547 0.124698 Se\n0.659453 0.826854 0.375302 Se\n0.840547 0.326854 0.875302 Se\n0.159453 0.326854 0.124698 Se\n0.340547 0.173146 0.375302 Se\n0.340547 0.826854 0.624698 Se\n0.659453 0.173146 0.624698 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Al",
"Bi",
"Se"
],
"chemical_system": "Al-Bi-Se",
"density": 4.974505609279474,
"density_atomic": 0.03623120204128415,
"volume": 772.8145471987104,
"volume_molar": 16.621421373593922,
"formula_full": "Al8 Bi4 Se16",
"formula_reduced": "Al2BiSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4909461952380954,
"spacegroup": 126
}
]
}