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"id": "mp-1523349",
"created_at": "2022-09-04T14:46:54.198373Z",
"structure_string": "K1 Ca1 Sm1 Se1 O6\n1.0\n-0.000000 -4.082781 -4.082781\n4.082781 -0.000000 -4.082781\n4.082781 -4.082781 -0.000000\nK Ca Sm Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Se\n0.776631 0.223369 0.223369 O\n0.223369 0.776631 0.776631 O\n0.776631 0.223369 0.776631 O\n0.223369 0.776631 0.223369 O\n0.776631 0.776631 0.223369 O\n0.223369 0.223369 0.776631 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Ca",
"Sm",
"Se",
"O"
],
"chemical_system": "Ca-K-O-Se-Sm",
"density": 4.934708857823866,
"density_atomic": 0.07346859748446359,
"volume": 136.11257520078155,
"volume_molar": 8.196890870651917,
"formula_full": "K1 Ca1 Sm1 Se1 O6",
"formula_reduced": "KCaSmSeO6",
"formula_anonymous": "ABCDE6",
"energy": -64.57581216,
"energy_per_atom": -6.4575812159999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.45381216,
"band_gap": 2.0666,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.106000Z",
"spacegroup": 216
}
]
}