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"id": "mp-756842",
"created_at": "2022-09-04T14:40:27.349112Z",
"structure_string": "Li3 Cr2 Ni1 O6\n1.0\n1.472428 6.445134 0.000000\n-1.472428 6.445134 0.000000\n0.000000 1.350638 5.740113\nLi Cr Ni O\n3 2 1 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.664023 0.664023 0.664574 Li\n0.335977 0.335977 0.335426 Li\n0.665743 0.665743 0.172798 Cr\n0.334257 0.334257 0.827202 Cr\n0.000000 0.000000 0.500000 Ni\n0.166892 0.166892 0.400066 O\n0.826900 0.826900 0.065211 O\n0.833108 0.833108 0.599934 O\n0.491745 0.491745 0.744141 O\n0.508255 0.508255 0.255859 O\n0.173100 0.173100 0.934789 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Li-Ni-O",
"density": 4.260123824241658,
"density_atomic": 0.11014500062673056,
"volume": 108.94729612528394,
"volume_molar": 5.4674662723988545,
"formula_full": "Li3 Cr2 Ni1 O6",
"formula_reduced": "Li3Cr2NiO6",
"formula_anonymous": "AB2C3D6",
"energy": -85.78911891,
"energy_per_atom": -7.1490932425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.12811891,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0001693,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.851000Z",
"spacegroup": 12
}
]
}