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0.668295 0.139711 H\n0.236969 0.471716 0.837416 H\n0.874084 0.168295 0.139711 H\n0.263031 0.971716 0.837416 H\n0.763031 0.528284 0.162584 H\n0.149758 0.957869 0.987918 H\n0.748244 0.221184 0.999793 H\n0.850242 0.042131 0.012082 H\n0.374084 0.331705 0.860289 H\n0.350242 0.457869 0.987918 H\n0.010423 0.622067 0.299490 C\n0.483956 0.930535 0.278914 C\n0.510423 0.877933 0.700510 C\n0.016044 0.430535 0.278914 C\n0.989577 0.377933 0.700510 C\n0.516044 0.069465 0.721086 C\n0.983956 0.569465 0.721086 C\n0.489577 0.122067 0.299490 C\n0.304937 0.385709 0.920974 N\n0.804937 0.114291 0.079026 N\n0.695063 0.614291 0.079026 N\n0.195063 0.885709 0.920974 N\n0.599375 0.202335 0.288285 O\n0.631500 0.152875 0.686750 O\n0.087515 0.630201 0.767474 O\n0.131500 0.347125 0.313250 O\n0.900625 0.702335 0.288285 O\n0.368500 0.847125 0.313250 O\n0.412485 0.130201 0.767474 O\n0.627945 0.817567 0.671777 O\n0.099375 0.297665 0.711715 O\n0.587515 0.869799 0.232526 O\n0.912485 0.369799 0.232526 O\n0.372055 0.182433 0.328223 O\n0.868500 0.652875 0.686750 O\n0.127945 0.682433 0.328223 O\n0.872055 0.317567 0.671777 O\n0.400625 0.797665 0.711715 O\n0.647977 0.407350 0.878036 F\n0.147977 0.092650 0.121964 F\n0.852023 0.907350 0.878036 F\n0.352023 0.592650 0.121964 F\n","nsites":52,"nelements":6,"elements":["Sn","H","C","N","O","F"],"chemical_system":"C-F-H-N-O-Sn","density":2.5939454268512394,"density_atomic":0.0833071356668582,"volume":624.196229815725,"volume_molar":7.2288414573300095,"formula_full":"Sn4 H16 C8 N4 O16 F4","formula_reduced":"SnH4C2NO4F","formula_anonymous":"ABCD2E4F4","energy":-333.73819228,"energy_per_atom":-6.41804215923077,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-319.45419228,"band_gap":2.5469,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0045619,"is_theoretical":false,"updated_at":"2021-11-28T01:35:14.855000Z","spacegroup":14}]}