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"created_at": "2022-09-04T14:35:42.482511Z",
"updated_at": "2022-09-04T14:35:42.482534Z",
"structure_string": "Na12 Nb4 O16\n1.0\n5.623291 0.002622 -1.243043\n-2.188177 8.210025 -1.325734\n0.009634 -0.003257 8.599423\nNa Nb O\n12 4 16\ndirect\n0.499999 0.499999 0.500000 Na\n-0.000001 0.376030 0.623969 Na\n-0.000000 0.500000 0.000000 Na\n0.999999 0.623969 0.376031 Na\n0.479365 0.626617 0.880965 Na\n0.520633 0.119034 0.373382 Na\n0.520633 0.373382 0.119035 Na\n0.479365 0.880965 0.626618 Na\n0.500000 -0.000000 0.000000 Na\n0.499999 0.740454 0.259546 Na\n0.499999 0.259545 0.740454 Na\n-0.000000 -0.000000 0.500000 Na\n-0.000001 0.866003 0.133997 Nb\n0.971072 0.738371 0.738371 Nb\n0.028926 0.261628 0.261629 Nb\n0.999999 0.133996 0.866003 Nb\n0.233013 0.246352 0.464963 O\n0.800330 0.887044 0.887045 O\n0.227589 0.875204 0.335786 O\n0.227589 0.335786 0.875205 O\n0.772409 0.124795 0.664214 O\n0.789902 0.347286 0.347287 O\n0.210096 0.652713 0.652713 O\n0.193838 0.767156 0.991729 O\n0.806160 0.008270 0.232843 O\n0.806160 0.232843 0.008271 O\n0.193838 0.991728 0.767157 O\n0.233013 0.464963 0.246352 O\n0.766985 0.753647 0.535037 O\n0.766985 0.535036 0.753648 O\n0.199668 0.112955 0.112955 O\n0.772409 0.664213 0.124795 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 3.777847263995253,
"density_atomic": 0.08057872878722411,
"volume": 397.12713865838066,
"volume_molar": 7.473611026927519,
"formula_full": "Na12 Nb4 O16",
"formula_reduced": "Na3NbO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.5978663000000002,
"spacegroup": 12
}
]
}