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N\n0.767406 0.747293 0.743868 N\n0.747293 0.767406 0.243868 N\n0.476729 0.573364 0.990727 O\n0.573364 0.476729 0.490727 O\n0.533721 0.542321 0.828232 O\n0.542321 0.533721 0.328232 O\n0.569597 0.531843 0.666238 O\n0.531843 0.569597 0.166238 O\n0.335453 0.462754 0.959784 O\n0.462754 0.335453 0.459784 O\n0.376362 0.445756 0.794127 O\n0.445756 0.376362 0.294127 O\n0.105982 0.470221 0.917751 O\n0.470221 0.105982 0.417751 O\n0.436048 0.170149 0.924956 O\n0.170149 0.436048 0.424956 O\n0.837102 0.458032 0.003143 O\n0.458032 0.837102 0.503143 O\n0.160317 0.164190 0.001928 O\n0.164190 0.160317 0.501928 O\n0.487934 0.867088 0.999939 O\n0.867088 0.487934 0.499939 O\n","nsites":98,"nelements":7,"elements":["Al","Zn","B","H","C","N","O"],"chemical_system":"Al-B-C-H-N-O-Zn","density":1.7515165392921934,"density_atomic":0.11003655530666784,"volume":890.613121492922,"volume_molar":5.4728546738095485,"formula_full":"Al2 Zn2 B10 H42 C12 N10 O20","formula_reduced":"AlZnB5H21C6(NO2)5","formula_anonymous":"ABC5D5E6F10G21","energy":-626.14312936,"energy_per_atom":-6.389215605714286,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-608.79312936,"band_gap":4.6496,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0013368,"is_theoretical":false,"updated_at":"2021-11-28T01:36:46.727000Z","spacegroup":9}]}