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4.508490 12.984017\nSn P O\n4 8 28\ndirect\n0.253019 0.264112 0.142705 Sn\n0.246981 0.264112 0.642705 Sn\n0.753019 0.735888 0.357295 Sn\n0.746981 0.735888 0.857295 Sn\n0.265350 0.823612 0.701204 P\n0.264737 0.696183 0.522779 P\n0.764737 0.303817 0.977221 P\n0.765350 0.176388 0.798796 P\n0.234650 0.823612 0.201204 P\n0.235263 0.696183 0.022779 P\n0.735263 0.303817 0.477221 P\n0.734650 0.176388 0.298796 P\n0.527314 0.741525 0.732102 O\n0.215509 0.822852 0.586160 O\n0.052825 0.719004 0.768780 O\n0.705060 0.479455 0.904354 O\n0.544465 0.720000 0.487615 O\n0.044465 0.280000 0.012385 O\n0.205060 0.520545 0.595646 O\n0.584819 0.240766 0.068761 O\n0.737731 0.993107 0.305755 O\n0.552825 0.280996 0.731220 O\n0.715509 0.177148 0.913840 O\n0.027314 0.258475 0.767898 O\n0.237731 0.006893 0.194245 O\n0.084819 0.759234 0.431239 O\n0.915181 0.240766 0.568761 O\n0.762269 0.993107 0.805755 O\n0.972686 0.741525 0.232102 O\n0.284491 0.822852 0.086160 O\n0.447175 0.719004 0.268780 O\n0.262269 0.006893 0.694245 O\n0.415181 0.759234 0.931239 O\n0.794940 0.479455 0.404354 O\n0.955535 0.720000 0.987615 O\n0.455535 0.280000 0.512385 O\n0.294940 0.520545 0.095646 O\n0.947175 0.280996 0.231220 O\n0.784491 0.177148 0.413840 O\n0.472686 0.258475 0.267898 O\n","nsites":40,"nelements":3,"elements":["Sn","P","O"],"chemical_system":"O-P-Sn","density":3.389704506531412,"density_atomic":0.06975242037637985,"volume":573.456803135467,"volume_molar":8.633593970653479,"formula_full":"Sn4 P8 O28","formula_reduced":"SnP2O7","formula_anonymous":"AB2C7","energy":-298.81798103,"energy_per_atom":-7.47044952575,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-279.58198103,"band_gap":3.7471,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0003837,"is_theoretical":true,"updated_at":"2021-11-28T01:34:24.166000Z","spacegroup":14}]}