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0.660732 H\n0.631886 0.656084 0.041321 H\n0.656084 0.631886 0.541321 H\n0.116330 0.605645 0.158403 H\n0.883670 0.394355 0.841597 H\n0.343916 0.368114 0.458679 H\n0.368114 0.343916 0.958679 H\n0.020042 0.208148 0.339268 H\n0.605645 0.116330 0.658403 H\n0.208148 0.020042 0.839268 H\n","nsites":20,"nelements":3,"elements":["Li","Be","H"],"chemical_system":"Be-H-Li","density":0.8165727778904707,"density_atomic":0.12956514972544184,"volume":154.36249672370604,"volume_molar":4.647963416675983,"formula_full":"Li4 Be4 H12","formula_reduced":"LiBeH3","formula_anonymous":"ABC3","energy":-69.57825335999999,"energy_per_atom":-3.4789126679999995,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.43025336,"band_gap":4.1609,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001522,"is_theoretical":true,"updated_at":"2021-11-28T01:35:52.681000Z","spacegroup":15}]}