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"id": "mp-1517905",
"created_at": "2022-09-04T14:43:54.393581Z",
"structure_string": "Ba1 Sr1 Ce1 W1 O6\n1.0\n0.000000 -4.291319 -4.291319\n4.291319 0.000000 -4.291319\n4.291319 -4.291319 0.000000\nBa Sr Ce W 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 Ce\n0.500000 0.500000 0.500000 W\n0.737614 0.262386 0.262386 O\n0.262386 0.737614 0.737614 O\n0.737614 0.262386 0.737614 O\n0.262386 0.737614 0.262386 O\n0.737614 0.737614 0.262386 O\n0.262386 0.262386 0.737614 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Ce",
"W",
"O"
],
"chemical_system": "Ba-Ce-O-Sr-W",
"density": 6.775458291450588,
"density_atomic": 0.06326996669360384,
"volume": 158.0528728334376,
"volume_molar": 9.518166477253413,
"formula_full": "Ba1 Sr1 Ce1 W1 O6",
"formula_reduced": "BaSrCeWO6",
"formula_anonymous": "ABCDE6",
"energy": -82.20209382,
"energy_per_atom": -8.220209382,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.64209382,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.790000Z",
"spacegroup": 216
}
]
}