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"id": "mp-1522393",
"created_at": "2022-09-04T14:40:17.226033Z",
"structure_string": "Ba1 Sr1 Ce1 Hf1 O6\n1.0\n0.000000 -4.312802 -4.312802\n4.312802 0.000000 -4.312802\n4.312802 -4.312802 0.000000\nBa Sr Ce Hf O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Sr\n-0.000000 -0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Hf\n0.741350 0.258650 0.258650 O\n0.258650 0.741350 0.741350 O\n0.741350 0.258650 0.741350 O\n0.258650 0.741350 0.258650 O\n0.741350 0.741350 0.258650 O\n0.258650 0.258650 0.741350 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Ce",
"Hf",
"O"
],
"chemical_system": "Ba-Ce-Hf-O-Sr",
"density": 6.619339206516272,
"density_atomic": 0.06232918435011175,
"volume": 160.43848646933355,
"volume_molar": 9.661831488396821,
"formula_full": "Ba1 Sr1 Ce1 Hf1 O6",
"formula_reduced": "BaSrCeHfO6",
"formula_anonymous": "ABCDE6",
"energy": -85.5123571,
"energy_per_atom": -8.55123571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.3903571,
"band_gap": 2.3501000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.397000Z",
"spacegroup": 216
}
]
}