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"id": "mp-1279343",
"created_at": "2022-09-04T14:41:09.176987Z",
"structure_string": "Co2 Ni2 O6\n1.0\n-2.469482 4.276333 0.029791\n-2.416019 -4.245742 -0.028167\n0.016712 -2.810036 4.532867\nCo Ni O\n2 2 6\ndirect\n0.835758 0.152039 0.523294 Co\n0.162176 0.848615 0.476612 Co\n0.353937 0.641360 0.068116 Ni\n0.646354 0.358440 0.932458 Ni\n0.777027 0.952518 0.267949 O\n0.952962 0.440786 0.733628 O\n0.562898 0.781492 0.732036 O\n0.436929 0.218147 0.267159 O\n0.047513 0.558929 0.265600 O\n0.224445 0.047675 0.733149 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Co",
"Ni",
"O"
],
"chemical_system": "Co-Ni-O",
"density": 5.804929235591629,
"density_atomic": 0.1055340203459656,
"volume": 94.7561740490661,
"volume_molar": 5.706350180025353,
"formula_full": "Co2 Ni2 O6",
"formula_reduced": "CoNiO3",
"formula_anonymous": "ABC3",
"energy": -66.8777252,
"energy_per_atom": -6.68777252,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.3977252,
"band_gap": 0.9607,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.6e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.187000Z",
"spacegroup": 2
}
]
}