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"created_at": "2022-09-04T14:44:23.019412Z",
"structure_string": "Ba1 La1 Mg1 Bi1 O6\n1.0\n0.000000 4.147997 4.147997\n4.147997 0.000000 4.147997\n4.147997 4.147997 0.000000\nBa La Mg Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Bi\n0.747050 0.252950 0.252950 O\n0.252950 0.252950 0.747050 O\n0.252950 0.747050 0.252950 O\n0.747050 0.252950 0.747050 O\n0.747050 0.747050 0.252950 O\n0.252950 0.747050 0.747050 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Mg",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-La-Mg-O",
"density": 7.044143318741315,
"density_atomic": 0.07005751097118401,
"volume": 142.739869877952,
"volume_molar": 8.59599588469111,
"formula_full": "Ba1 La1 Mg1 Bi1 O6",
"formula_reduced": "BaLaMgBiO6",
"formula_anonymous": "ABCDE6",
"energy": -68.27639585,
"energy_per_atom": -6.827639585,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.15439585,
"band_gap": 1.0829000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.97e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.667000Z",
"spacegroup": 216
}
]
}