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"id": "mp-1520991",
"created_at": "2022-09-04T14:47:22.629690Z",
"structure_string": "Ba1 Sr1 Pr1 V1 O6\n1.0\n0.000000 -4.239974 -4.239974\n4.239974 0.000000 -4.239974\n4.239974 -4.239974 0.000000\nBa Sr Pr V O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 V\n0.725297 0.274703 0.274703 O\n0.274703 0.725297 0.725297 O\n0.725297 0.274703 0.725297 O\n0.274703 0.725297 0.274703 O\n0.725297 0.725297 0.274703 O\n0.274703 0.274703 0.725297 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Pr",
"V",
"O"
],
"chemical_system": "Ba-O-Pr-Sr-V",
"density": 5.585617966727321,
"density_atomic": 0.06559646320688803,
"volume": 152.44724351159743,
"volume_molar": 9.180587589008365,
"formula_full": "Ba1 Sr1 Pr1 V1 O6",
"formula_reduced": "BaSrPrVO6",
"formula_anonymous": "ABCDE6",
"energy": -77.46359422,
"energy_per_atom": -7.746359422,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.64159422,
"band_gap": 1.6564,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.159000Z",
"spacegroup": 216
}
]
}