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0.248807 O\n0.001018 0.995634 0.282173 O\n0.001472 0.730423 0.998867 O\n0.002827 0.002827 0.002827 O\n0.989818 0.010182 0.510182 O\n0.998867 0.001472 0.730423 O\n0.004366 0.782173 0.498982 O\n0.039846 0.250552 0.751399 O\n0.249448 0.248601 0.539846 O\n0.248601 0.539846 0.249448 O\n0.256604 0.243396 0.756604 O\n0.248807 0.035127 0.744333 O\n0.217827 0.998982 0.495634 O\n0.230423 0.501133 0.998528 O\n0.255667 0.748807 0.464873 O\n0.248783 0.748783 0.751217 O\n0.251217 0.251217 0.251217 O\n0.244333 0.251193 0.964873 O\n0.269577 0.498867 0.498528 O\n0.282173 0.001018 0.995634 O\n0.251193 0.964873 0.244333 O\n0.243396 0.756604 0.256604 O\n0.251399 0.460154 0.749448 O\n0.250552 0.751399 0.039846 O\n0.460154 0.749448 0.251399 O\n0.497173 0.997173 0.502827 O\n0.510182 0.989818 0.010182 O\n0.501133 0.998528 0.230423 O\n0.495634 0.217827 0.998982 O\n0.498528 0.269577 0.498867 O\n0.464873 0.255667 0.748807 O\n0.498982 0.004366 0.782173 O\n0.501018 0.504366 0.717827 O\n0.535127 0.755667 0.751193 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O\n","nsites":96,"nelements":3,"elements":["Pr","Hf","O"],"chemical_system":"Hf-O-Pr","density":8.025142823824483,"density_atomic":0.07563245458185969,"volume":1269.2963692735345,"volume_molar":7.962376460335587,"formula_full":"Pr16 Hf16 O64","formula_reduced":"PrHfO4","formula_anonymous":"ABC4","energy":-886.20951121,"energy_per_atom":-9.231349075104166,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-842.24151121,"band_gap":0.3012000000000001,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0308221,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.832000Z","spacegroup":198}]}