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O\n0.082671 0.165425 0.228461 O\n0.779359 0.364274 0.583401 O\n0.870938 0.895942 0.088608 O\n0.459674 0.169853 0.546381 O\n0.298755 0.597332 0.268518 O\n0.533565 0.406540 0.663927 O\n0.025584 0.255972 0.482875 O\n0.860788 0.641984 0.982856 O\n0.948608 0.446164 0.058584 O\n0.582082 0.544186 0.927765 O\n0.223457 0.908594 0.754240 O\n0.759733 0.822099 0.375260 O\n0.672548 0.635725 0.155259 O\n0.886338 0.836181 0.817963 O\n0.611546 0.300770 0.394264 O\n0.160520 0.304968 0.974487 O\n0.497415 0.024984 0.766894 O\n0.342068 0.281711 0.317489 O\n0.607431 0.039794 0.407043 O\n0.828498 0.098900 0.202246 O\n0.748225 0.535598 0.392149 O\n0.508098 0.713201 0.337914 O\n0.935811 0.672188 0.238455 O\n0.417873 0.698725 0.047492 O\n0.676785 0.163220 0.682902 O\n0.352286 0.988842 0.999581 O\n0.497997 0.867606 0.525087 O\n0.233774 0.807035 0.501924 O\n0.766030 0.412476 0.868394 O\n0.555768 0.177582 0.174823 O\n0.420771 0.742185 0.754303 O\n","nsites":100,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":3.0419385015836458,"density_atomic":0.08983303440872771,"volume":1113.1762458898363,"volume_molar":6.703704043436965,"formula_full":"Al40 O60","formula_reduced":"Al2O3","formula_anonymous":"A2B3","energy":-773.33581039,"energy_per_atom":-7.7333581039,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-732.11581039,"band_gap":4.0581,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0042009,"is_theoretical":true,"updated_at":"2021-11-28T01:37:09.897000Z","spacegroup":1},{"id":"mp-8022","created_at":"2022-09-04T14:39:07.311946Z","structure_string":"Al2 O1\n1.0\n0.000000 2.845710 2.845710\n2.845710 0.000000 2.845710\n2.845710 2.845710 0.000000\nAl O\n2 1\ndirect\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n0.000000 0.000000 0.000000 O\n","nsites":3,"nelements":2,"elements":["Al","O"],"chemical_system":"Al-O","density":2.520648916971109,"density_atomic":0.06509075949266424,"volume":46.08949140220282,"volume_molar":9.251913492695838,"formula_full":"Al2 O1","formula_reduced":"Al2O","formula_anonymous":"AB2","energy":-12.86371721,"energy_per_atom":-4.287905736666667,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-12.17671721,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0033274,"is_theoretical":false,"updated_at":"2021-11-28T01:34:24.999000Z","spacegroup":225}]}