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"id": "mp-1517421",
"created_at": "2022-09-04T14:46:56.774690Z",
"structure_string": "Sr1 Ce1 Cr1 Sn1 O6\n1.0\n0.000000 -4.013707 -4.013707\n4.013707 0.000000 -4.013707\n4.013707 -4.013707 0.000000\nSr Ce Cr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ce\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.753438 0.246562 0.246562 O\n0.246562 0.753438 0.753438 O\n0.753438 0.246562 0.753438 O\n0.246562 0.753438 0.246562 O\n0.753438 0.753438 0.246562 O\n0.246562 0.246562 0.753438 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ce",
"Cr",
"Sn",
"O"
],
"chemical_system": "Ce-Cr-O-Sn-Sr",
"density": 6.3488400296099945,
"density_atomic": 0.07732732854388702,
"volume": 129.32038631496903,
"volume_molar": 7.787855695263212,
"formula_full": "Sr1 Ce1 Cr1 Sn1 O6",
"formula_reduced": "SrCeCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -78.25734682999999,
"energy_per_atom": -7.8257346829999985,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.13634683,
"band_gap": 0.1276999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.453000Z",
"spacegroup": 216
}
]
}