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"elements": [
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"Ni",
"O"
],
"chemical_system": "Ni-O-Zn",
"density": 6.174252071375487,
"density_atomic": 0.1080246526577889,
"volume": 185.14292347097808,
"volume_molar": 5.574783729300688,
"formula_full": "Zn4 Ni4 O12",
"formula_reduced": "ZnNiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.21830866,
"spacegroup": 62
},
{
"id": "jvasp-21321",
"created_at": "2022-09-04T14:36:51.920933Z",
"updated_at": "2022-09-04T14:36:51.920959Z",
"structure_string": "Zn4 Ni2 W2 O12\n1.0\n0.000000 5.171336 0.005980\n5.201082 0.000000 0.000000\n0.000000 -5.036947 -7.692705\nZn Ni W O\n4 2 2 12\ndirect\n0.260552 0.965373 0.253543 Zn\n0.739448 0.465374 0.246457 Zn\n0.739448 0.034626 0.746456 Zn\n0.260551 0.534626 0.753543 Zn\n0.500000 0.000000 -0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000001 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.643187 0.079729 0.261293 O\n0.356813 0.579729 0.238707 O\n0.737987 0.673989 0.057131 O\n0.262013 0.173990 0.442869 O\n0.262013 0.326010 0.942868 O\n0.913045 0.185497 0.075111 O\n0.086954 0.814502 0.924888 O\n0.913045 0.314503 0.575111 O\n0.356812 0.920271 0.738706 O\n0.086955 0.685497 0.424888 O\n0.737986 0.826010 0.557131 O\n0.643187 0.420271 0.761293 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Zn",
"Ni",
"W",
"O"
],
"chemical_system": "Ni-O-W-Zn",
"density": 7.539235306256396,
"density_atomic": 0.09673495061173781,
"volume": 206.75050613581644,
"volume_molar": 6.225403250755651,
"formula_full": "Zn4 Ni2 W2 O12",
"formula_reduced": "Zn2NiWO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.26359542,
"spacegroup": 14
}
]
}