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O\n0.599253 0.151401 0.398526 O\n0.393374 0.292833 0.415588 O\n0.744582 0.875321 0.074244 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.046847536341567,"density_atomic":0.08997800561313975,"volume":1111.3827131260255,"volume_molar":6.692903136675626,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-773.96072967,"energy_per_atom":-7.7396072967,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-732.74072967,"band_gap":3.8149,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0030954,"is_theoretical":true,"updated_at":"2021-11-28T01:35:07.870000Z","spacegroup":1},{"id":"mp-8023","created_at":"2022-09-04T14:48:01.022642Z","structure_string":"Al1 O1\n1.0\n0.000000 2.238265 2.238265\n2.238265 0.000000 2.238265\n2.238265 2.238265 0.000000\nAl O\n1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 O\n","nsites":2,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.1824419169671163,"density_atomic":0.08917959363094626,"volume":22.426655230978525,"volume_molar":6.752823728847149,"formula_full":"Al1 O1","formula_reduced":"AlO","formula_anonymous":"AB","energy":-11.79776811,"energy_per_atom":-5.898884055,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-11.11076811,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0029123,"is_theoretical":false,"updated_at":"2021-11-28T01:38:28.094000Z","spacegroup":225}]}