{"success":true,"data":{"mat_id":"agm038034006","formula":"K2Ti(BrF2)2","summary":{"formula":"K2Ti(BrF2)2","spg":12,"spg_symbol":"C2\/m","crystal_system":"monoclinic","point_group":"2\/m","nsites":9,"n_elements":4,"elements":["K","Ti","Br","F"]},"energy":{"e_above_hull":0.008146255,"e_form":-2.8608232,"energy_corrected":-44.874657,"energy_total":-44.8746559},"electronic":{"band_gap_ind":2.5623,"band_gap_dir":2.5695,"dos_ef":0},"magnetic":{"total_mag":0},"structure":{"a":6.401566688817729,"b":6.401566689966161,"c":7.595744086970264,"alpha":75.67975540287273,"beta":104.32024458660314,"gamma":123.13548305991345,"volume":250.13194509591506,"n_sites":9},"meta":{"prototype_id":"AB2C2D4_173_spg12","decomposition":" K2TiBr6  KTiF5  KBr ","run_timestamp":"2024-12-26 13:17:59"},"composition":{"K":2,"Ti":1,"Br":2,"F":4}}}