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"created_at": "2022-09-04T14:36:11.660558Z",
"updated_at": "2022-09-04T14:36:11.660579Z",
"structure_string": "Li12 Nd12 W8 O48\n1.0\n10.233161 0.000000 -3.617969\n-5.116580 8.862177 -3.617969\n0.000000 -0.000000 10.853906\nLi Nd W O\n12 12 8 48\ndirect\n0.125000 0.750000 0.875000 Li\n0.750000 0.875000 0.125000 Li\n0.750000 0.375000 0.625000 Li\n0.125000 0.875000 0.250000 Li\n0.375000 0.250000 0.625000 Li\n0.250000 0.125000 0.875000 Li\n0.875000 0.250000 0.125000 Li\n0.250000 0.625000 0.375000 Li\n0.375000 0.625000 0.750000 Li\n0.625000 0.750000 0.375000 Li\n0.875000 0.125000 0.750000 Li\n0.625000 0.375000 0.250000 Li\n0.125000 0.250000 0.375000 Nd\n0.875000 0.750000 0.625000 Nd\n0.625000 0.250000 0.875000 Nd\n0.750000 0.125000 0.375000 Nd\n0.625000 0.875000 0.750000 Nd\n0.250000 0.875000 0.625000 Nd\n0.875000 0.625000 0.250000 Nd\n0.125000 0.375000 0.750000 Nd\n0.375000 0.750000 0.125000 Nd\n0.750000 0.625000 0.875000 Nd\n0.375000 0.125000 0.250000 Nd\n0.250000 0.375000 0.125000 Nd\n0.500000 -0.000000 -0.000000 W\n0.500000 0.500000 -0.000000 W\n0.000000 0.500000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.000000 0.000000 0.000000 W\n0.500000 0.500000 0.500000 W\n0.500000 0.000000 0.500000 W\n-0.000000 0.000000 0.500000 W\n0.591296 0.172552 0.477000 O\n0.918744 0.114297 0.591296 O\n0.385703 0.581256 0.908704 O\n0.976999 0.804448 0.885703 O\n0.614297 0.418745 0.091296 O\n0.091296 0.977000 0.672552 O\n0.976999 0.672552 0.091296 O\n0.695552 0.523001 0.614297 O\n0.114297 0.023001 0.195552 O\n0.672552 0.081255 0.695552 O\n0.418745 0.827449 0.804448 O\n0.581256 0.908704 0.385703 O\n0.591296 0.918745 0.114297 O\n0.523001 0.614297 0.695552 O\n0.918745 0.304448 0.327448 O\n0.885703 0.408704 0.081255 O\n0.827448 0.523001 0.408704 O\n0.081256 0.885703 0.408704 O\n0.804448 0.885703 0.977000 O\n0.908704 0.023001 0.327448 O\n0.908704 0.385703 0.581256 O\n0.304448 0.327448 0.918745 O\n0.804448 0.418745 0.827449 O\n0.172552 0.477000 0.591296 O\n0.672552 0.091296 0.977000 O\n0.304448 0.477000 0.385703 O\n0.385703 0.304448 0.477000 O\n0.581255 0.172552 0.195552 O\n0.408704 0.081255 0.885703 O\n0.476999 0.385703 0.304448 O\n0.023001 0.327448 0.908704 O\n0.091296 0.614297 0.418745 O\n0.827448 0.804448 0.418745 O\n0.081256 0.695552 0.672552 O\n0.523001 0.408704 0.827449 O\n0.614297 0.695552 0.523001 O\n0.195552 0.114297 0.023001 O\n0.695552 0.672552 0.081255 O\n0.195552 0.581256 0.172552 O\n0.327448 0.908704 0.023001 O\n0.114297 0.591296 0.918745 O\n0.172552 0.195552 0.581256 O\n0.023001 0.195552 0.114297 O\n0.327448 0.918745 0.304448 O\n0.885703 0.977000 0.804448 O\n0.476999 0.591296 0.172552 O\n0.418745 0.091296 0.614297 O\n0.408704 0.827449 0.523001 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Nd",
"W",
"O"
],
"chemical_system": "Li-Nd-O-W",
"density": 6.83718500181463,
"density_atomic": 0.08127438730062377,
"volume": 984.3199396150478,
"volume_molar": 7.409641536545648,
"formula_full": "Li12 Nd12 W8 O48",
"formula_reduced": "Li3Nd3(WO6)2",
"formula_anonymous": "A2B3C3D12",
"energy_above_hull": 3.122635825,
"spacegroup": 230
}
]
}