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"created_at": "2022-09-04T14:37:18.574383Z",
"updated_at": "2022-09-04T14:37:18.574398Z",
"structure_string": "Ca4 Ni4 O8\n1.0\n-3.101180 0.001032 -0.001240\n-0.002669 -7.931655 -0.091193\n1.548392 3.331087 8.189497\nCa Ni O\n4 4 8\ndirect\n0.701115 0.137464 0.399001 Ca\n0.305295 0.841168 0.607362 Ca\n0.996133 0.716978 0.989052 Ca\n0.010276 0.261674 0.017318 Ca\n0.375658 0.247067 0.748079 Ni\n0.830511 0.526612 0.657855 Ni\n0.175859 0.452048 0.348532 Ni\n0.630723 0.731556 0.258227 Ni\n0.094174 0.569221 0.185113 O\n0.600942 0.255231 0.198657 O\n0.405458 0.723423 0.807712 O\n0.912267 0.409395 0.821306 O\n0.845964 0.079493 0.688684 O\n0.265682 0.358018 0.528157 O\n0.160344 0.899121 0.317460 O\n0.740708 0.620628 0.478207 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 4.332502850323211,
"density_atomic": 0.07980699583472094,
"volume": 200.4836773098909,
"volume_molar": 7.545880780266133,
"formula_full": "Ca4 Ni4 O8",
"formula_reduced": "CaNiO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.891554955,
"spacegroup": 12
}
]
}