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"total_magnetization": 1.3e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.087000Z",
"spacegroup": 62
},
{
"id": "mp-761293",
"created_at": "2022-09-04T14:43:02.896402Z",
"structure_string": "Zr4 Co4 O12\n1.0\n2.478711 -4.819877 0.022211\n3.218834 1.641373 4.413203\n-5.647246 -2.936024 4.535839\nZr Co O\n4 4 12\ndirect\n0.999398 0.283607 0.858189 Zr\n0.499389 0.783611 0.358171 Zr\n0.000611 0.716386 0.141827 Zr\n0.500603 0.216392 0.641809 Zr\n0.999571 0.706780 0.649317 Co\n0.500444 0.793231 0.850684 Co\n0.499608 0.206899 0.149302 Co\n0.000394 0.293100 0.350701 Co\n0.146869 0.351866 0.098483 O\n0.646974 0.851884 0.598450 O\n0.698248 0.504240 0.250654 O\n0.198263 0.004267 0.750643 O\n0.653955 0.150545 0.898343 O\n0.153969 0.650557 0.398353 O\n0.346032 0.849445 0.101647 O\n0.846041 0.349457 0.601655 O\n0.301730 0.495724 0.749359 O\n0.801749 0.995757 0.249344 O\n0.853023 0.648118 0.901550 O\n0.353128 0.148134 0.401517 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Zr",
"Co",
"O"
],
"chemical_system": "Co-O-Zr",
"density": 5.459938235577097,
"density_atomic": 0.08296649356156596,
"volume": 241.06116989455313,
"volume_molar": 7.258521484376367,
"formula_full": "Zr4 Co4 O12",
"formula_reduced": "ZrCoO3",
"formula_anonymous": "ABC3",
"energy": -176.09676545,
"energy_per_atom": -8.8048382725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.30076545000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:09.471000Z",
"spacegroup": 148
}
]
}