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"id": "mp-1521165",
"created_at": "2022-09-04T14:43:53.155675Z",
"structure_string": "Sr1 Ca1 Y1 Bi1 O6\n1.0\n0.000000 -4.285567 -4.285567\n4.285567 0.000000 -4.285567\n4.285567 -4.285567 0.000000\nSr Ca Y Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Bi\n0.755717 0.244283 0.244283 O\n0.244283 0.755717 0.755717 O\n0.755717 0.244283 0.755717 O\n0.244283 0.755717 0.244283 O\n0.755717 0.755717 0.244283 O\n0.244283 0.244283 0.755717 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Y",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-O-Sr-Y",
"density": 5.501938168807127,
"density_atomic": 0.06352506772792159,
"volume": 157.4181714032968,
"volume_molar": 9.479943863724602,
"formula_full": "Sr1 Ca1 Y1 Bi1 O6",
"formula_reduced": "SrCaYBiO6",
"formula_anonymous": "ABCDE6",
"energy": -70.43600193,
"energy_per_atom": -7.0436001930000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.31400193,
"band_gap": 2.0748999999999995,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.134000Z",
"spacegroup": 216
}
]
}