{"success":true,"data":{"mat_id":"agm005690684","formula":"Th(Cl3F)2","summary":{"formula":"Th(Cl3F)2","spg":12,"spg_symbol":"C2\/m","crystal_system":"monoclinic","point_group":"2\/m","nsites":9,"n_elements":3,"elements":["Th","Cl","F"]},"energy":{"e_above_hull":0,"e_form":-2.1624663,"energy_corrected":-37.248783,"energy_total":-37.24878336},"electronic":{"band_gap_ind":2.1806,"band_gap_dir":2.1806,"dos_ef":0},"magnetic":{"total_mag":0},"structure":{"a":3.930937657930009,"b":8.6913176317348,"c":8.89329005546251,"alpha":60.748612552004644,"beta":85.5363732081831,"gamma":80.83613344286431,"volume":261.71172022273277,"n_sites":9},"meta":{"prototype_id":"AB2C6_2229_spg12","decomposition":" Th(Cl3F)2 ","run_timestamp":"2023-07-07 03:26:12.927088"},"composition":{"Th":1,"Cl":6,"F":2}}}