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Sb\n0.237721 0.177395 0.029475 Te\n0.086612 0.569675 0.679605 Te\n0.762279 0.822605 0.970525 Te\n0.767310 0.346849 0.935297 Te\n0.913388 0.430325 0.320395 Te\n0.232690 0.653151 0.064703 Te\n0.479243 0.668852 0.421389 S\n0.377727 0.840142 0.325500 S\n0.622273 0.159858 0.674500 S\n0.492615 0.724007 0.709202 S\n0.410676 0.292728 0.458106 S\n0.183748 0.046731 0.502787 S\n0.203340 0.972677 0.681704 S\n0.189279 0.906314 0.399508 S\n0.400926 0.919700 0.713098 S\n0.816252 0.953269 0.497213 S\n0.796660 0.027323 0.318296 S\n0.599074 0.080300 0.286902 S\n0.507385 0.275993 0.290798 S\n0.589324 0.707272 0.541894 S\n0.520757 0.331148 0.578611 S\n0.810721 0.093686 0.600492 S\n0.110047 0.514730 0.846507 O\n0.146451 0.346565 0.063038 O\n0.924323 0.389212 0.924933 O\n0.889953 0.485270 0.153493 O\n0.075677 0.610788 0.075067 O\n0.853549 0.653435 0.936962 O\n0.093071 0.118901 0.075485 F\n0.725311 0.432407 0.779056 F\n0.665361 0.993154 0.991689 F\n0.205113 0.744670 0.908365 F\n0.139104 0.803583 0.132596 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F\n","nsites":60,"nelements":6,"elements":["Ag","Sb","Te","S","O","F"],"chemical_system":"Ag-F-O-S-Sb-Te","density":2.881950874147656,"density_atomic":0.04789452826514379,"volume":1252.7527083645214,"volume_molar":12.573755245403964,"formula_full":"Ag1 Sb1 Te6 S16 O6 F30","formula_reduced":"AgSbTe6S16(OF5)6","formula_anonymous":"ABC6D6E16F30","energy":-284.52939969,"energy_per_atom":-4.7421566615,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-258.49939969,"band_gap":0.8025,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005592,"is_theoretical":false,"updated_at":"2021-11-28T01:38:10.672000Z","spacegroup":2}]}