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"created_at": "2022-09-04T14:38:42.564632Z",
"updated_at": "2022-09-04T14:38:42.564666Z",
"structure_string": "Ti1 Cu2 Ni1 O4\n1.0\n2.973515 0.024331 11.334278\n1.482512 2.577701 11.334278\n0.041668 0.024331 11.717760\nTi Cu Ni O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.752507 0.752503 0.752504 Cu\n0.247496 0.247495 0.247495 Cu\n0.500001 0.499999 0.500000 Ni\n0.195118 0.195117 0.195118 O\n0.698358 0.698355 0.698356 O\n0.804884 0.804881 0.804882 O\n0.301645 0.301643 0.301644 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Ti",
"Cu",
"Ni",
"O"
],
"chemical_system": "Cu-Ni-O-Ti",
"density": 5.630987229787301,
"density_atomic": 0.09114220790125416,
"volume": 87.77491992148586,
"volume_molar": 6.60741153706145,
"formula_full": "Ti1 Cu2 Ni1 O4",
"formula_reduced": "TiCu2NiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.7989869541666663,
"spacegroup": 166
}
]
}