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"id": "mp-1521732",
"created_at": "2022-09-04T14:39:30.813380Z",
"structure_string": "Ba1 Sr1 Ce1 V1 O6\n1.0\n0.000000 -4.190327 -4.190327\n4.190327 0.000000 -4.190327\n4.190327 -4.190327 -0.000000\nBa Sr Ce V 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 V\n0.733690 0.266310 0.266310 O\n0.266310 0.733690 0.733690 O\n0.733690 0.266310 0.733690 O\n0.266310 0.733690 0.266310 O\n0.733690 0.733690 0.266310 O\n0.266310 0.266310 0.733690 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Ce",
"V",
"O"
],
"chemical_system": "Ba-Ce-O-Sr-V",
"density": 5.777581498839821,
"density_atomic": 0.06795575759809999,
"volume": 147.154565756465,
"volume_molar": 8.86185508462108,
"formula_full": "Ba1 Sr1 Ce1 V1 O6",
"formula_reduced": "BaSrCeVO6",
"formula_anonymous": "ABCDE6",
"energy": -79.86364358,
"energy_per_atom": -7.986364358,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.04164358,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.844000Z",
"spacegroup": 216
}
]
}