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"created_at": "2022-09-04T14:38:43.735893Z",
"updated_at": "2022-09-04T14:38:43.735921Z",
"structure_string": "Ba6 Na2 Sb2 O12\n1.0\n7.200651 -0.007917 -0.234166\n-0.241648 7.196600 -0.234166\n-0.007664 -0.007917 7.204453\nBa Na Sb O\n6 2 2 12\ndirect\n0.250000 0.600833 0.899166 Ba\n0.899167 0.249999 0.600833 Ba\n0.600833 0.899166 0.249999 Ba\n0.399167 0.100833 0.749999 Ba\n0.750000 0.399166 0.100833 Ba\n0.100834 0.750000 0.399166 Ba\n0.250000 0.250000 0.250000 Na\n0.750000 0.749999 0.749999 Na\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.499999 Sb\n0.231748 0.417987 0.551174 O\n0.917987 0.731748 0.051174 O\n0.731748 0.051174 0.917986 O\n0.051175 0.917987 0.731747 O\n0.582013 0.448825 0.768251 O\n0.948825 0.082012 0.268251 O\n0.768252 0.582013 0.448824 O\n0.082013 0.268252 0.948824 O\n0.268252 0.948825 0.082012 O\n0.551175 0.231748 0.417986 O\n0.448825 0.768252 0.582012 O\n0.417987 0.551175 0.231747 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Sb",
"O"
],
"chemical_system": "Ba-Na-O-Sb",
"density": 5.8070794929995175,
"density_atomic": 0.05893450885185981,
"volume": 373.2957214473459,
"volume_molar": 10.218360816643944,
"formula_full": "Ba6 Na2 Sb2 O12",
"formula_reduced": "Ba3NaSbO6",
"formula_anonymous": "ABC3D6",
"energy_above_hull": 1.3819594554545451,
"spacegroup": 167
}
]
}