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Ti\n0.268451 0.530713 0.874055 Ti\n0.768451 0.469287 0.125945 Ti\n0.293514 0.409563 0.328774 Ti\n0.269679 0.030043 0.878154 Ti\n0.782390 0.069638 0.679017 Ti\n0.429384 0.993494 0.177810 O\n0.564713 0.928229 0.408732 O\n0.663842 0.827963 0.682755 O\n0.360779 0.779300 0.880995 O\n0.064856 0.857218 0.432013 O\n0.045363 0.934819 0.025657 O\n0.951891 0.867288 0.233789 O\n0.100827 0.636700 0.617910 O\n0.927957 0.579469 0.823505 O\n0.386833 0.673538 0.304615 O\n0.644766 0.728266 0.088384 O\n0.587967 0.586493 0.550920 O\n0.542386 0.448998 0.972850 O\n0.453739 0.482010 0.763384 O\n0.953739 0.517990 0.236616 O\n0.042386 0.551002 0.027150 O\n0.087967 0.413507 0.449080 O\n0.144766 0.271734 0.911616 O\n0.886833 0.326462 0.695385 O\n0.427957 0.420531 0.176495 O\n0.600827 0.363300 0.382090 O\n0.451891 0.132712 0.766211 O\n0.545363 0.065181 0.974343 O\n0.564856 0.142782 0.567987 O\n0.860779 0.220700 0.119005 O\n0.163842 0.172037 0.317245 O\n0.064713 0.071771 0.591268 O\n0.929384 0.006506 0.822190 O\n","nsites":44,"nelements":3,"elements":["Tm","Ti","O"],"chemical_system":"O-Ti-Tm","density":7.053011956181677,"density_atomic":0.08563380920935541,"volume":513.8157511179946,"volume_molar":7.032433586222025,"formula_full":"Tm8 Ti8 O28","formula_reduced":"Tm2Ti2O7","formula_anonymous":"A2B2C7","energy":-405.05772031,"energy_per_atom":-9.205857279772728,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-385.8217203100001,"band_gap":2.9789000000000003,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0068581,"is_theoretical":true,"updated_at":"2021-11-28T01:39:41.975000Z","spacegroup":4}]}