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"id": "mp-1520949",
"created_at": "2022-09-04T14:39:33.065013Z",
"structure_string": "Sr1 Ca1 Cr1 Bi1 O6\n1.0\n0.000000 -4.074057 -4.074057\n4.074057 -0.000000 -4.074057\n4.074057 -4.074057 0.000000\nSr Ca Cr Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Bi\n0.744363 0.255637 0.255637 O\n0.255637 0.744363 0.744363 O\n0.744363 0.255637 0.744363 O\n0.255637 0.744363 0.255637 O\n0.744363 0.744363 0.255637 O\n0.255637 0.255637 0.744363 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Cr",
"Bi",
"O"
],
"chemical_system": "Bi-Ca-Cr-O-Sr",
"density": 5.950928663691043,
"density_atomic": 0.07394157577409906,
"volume": 135.2419108642109,
"volume_molar": 8.144458238756512,
"formula_full": "Sr1 Ca1 Cr1 Bi1 O6",
"formula_reduced": "SrCaCrBiO6",
"formula_anonymous": "ABCDE6",
"energy": -69.81200797,
"energy_per_atom": -6.981200797,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.69100797,
"band_gap": 0.2793000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.896000Z",
"spacegroup": 216
}
]
}