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"created_at": "2022-09-04T14:35:58.276202Z",
"updated_at": "2022-09-04T14:35:58.276221Z",
"structure_string": "Ba7 Ir6 O19\n1.0\n5.808647 0.000000 0.000000\n-2.904323 7.385456 -1.244606\n0.000000 0.019467 11.121155\nBa Ir O\n7 6 19\ndirect\n0.801486 0.602971 0.408238 Ba\n0.198515 0.397030 0.591762 Ba\n0.572629 0.145257 0.162505 Ba\n0.427373 0.854744 0.837495 Ba\n0.854652 0.709302 0.053832 Ba\n0.145350 0.290700 0.946168 Ba\n0.500000 0.000000 0.500000 Ba\n0.021978 0.043956 0.323259 Ir\n0.343406 0.686811 0.217632 Ir\n0.656596 0.313190 0.782369 Ir\n0.181466 0.362932 0.265822 Ir\n0.818535 0.637069 0.734178 Ir\n0.978024 0.956045 0.676741 Ir\n0.991659 0.517802 0.837117 O\n0.473857 0.482199 0.162883 O\n0.359745 0.249021 0.368974 O\n0.000000 0.000000 0.500000 O\n0.889277 0.249021 0.368974 O\n0.526144 0.517802 0.837117 O\n0.008343 0.482199 0.162883 O\n0.176600 0.855042 0.293746 O\n0.321558 0.144959 0.706254 O\n0.823402 0.144959 0.706254 O\n0.678444 0.855042 0.293746 O\n0.394924 0.789847 0.062504 O\n0.605077 0.210154 0.937497 O\n0.054648 0.109297 0.148942 O\n0.945353 0.890704 0.851058 O\n0.702595 0.405189 0.612165 O\n0.297407 0.594812 0.387835 O\n0.640257 0.750980 0.631026 O\n0.110725 0.750980 0.631026 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Ba",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-O",
"density": 8.41548590418449,
"density_atomic": 0.06705322836105428,
"volume": 477.23280119628333,
"volume_molar": 8.981134700290983,
"formula_full": "Ba7 Ir6 O19",
"formula_reduced": "Ba7Ir6O19",
"formula_anonymous": "A6B7C19",
"energy_above_hull": 2.8354001528125,
"spacegroup": 12
}
]
}