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"id": "mp-776091",
"created_at": "2022-09-04T14:48:15.283819Z",
"structure_string": "Li2 La2 Nd2 Sb2 O12\n1.0\n5.615039 0.000000 0.000000\n0.039059 5.793148 0.000000\n0.048601 0.002661 8.044352\nLi La Nd Sb O\n2 2 2 2 12\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.985468 0.051249 0.248700 La\n0.014532 0.948751 0.751300 La\n0.515419 0.554708 0.250996 Nd\n0.484581 0.445292 0.749004 Nd\n0.000000 0.500000 0.500000 Sb\n0.500000 0.000000 0.000000 Sb\n0.106056 0.469649 0.261834 O\n0.212578 0.195409 0.951454 O\n0.192691 0.215844 0.556359 O\n0.313788 0.714289 0.942656 O\n0.285960 0.691321 0.553179 O\n0.403074 0.960599 0.238959 O\n0.596926 0.039401 0.761041 O\n0.714040 0.308679 0.446821 O\n0.686212 0.285711 0.057344 O\n0.807309 0.784156 0.443641 O\n0.787422 0.804591 0.048546 O\n0.893944 0.530351 0.738166 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"La",
"Nd",
"Sb",
"O"
],
"chemical_system": "La-Li-Nd-O-Sb",
"density": 6.445427031975861,
"density_atomic": 0.07643134971173654,
"volume": 261.6727308287854,
"volume_molar": 7.879150090522686,
"formula_full": "Li2 La2 Nd2 Sb2 O12",
"formula_reduced": "LiLaNdSbO6",
"formula_anonymous": "ABCDE6",
"energy": -151.50595811,
"energy_per_atom": -7.575297905499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -143.26195811,
"band_gap": 3.917299999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:46.507000Z",
"spacegroup": 2
}
]
}