{"success":true,"data":{"mat_id":"agm034621483","formula":"ThP2(O3F)2","summary":{"formula":"ThP2(O3F)2","spg":164,"spg_symbol":"P-3m1","crystal_system":"trigonal","point_group":"-3m","nsites":11,"n_elements":4,"elements":["Th","P","O","F"]},"energy":{"e_above_hull":0.0017606864,"e_form":-3.3405433,"energy_corrected":-87.57843,"energy_total":-83.36469245},"electronic":{"band_gap_ind":5.1433,"band_gap_dir":5.1504,"dos_ef":0},"magnetic":{"total_mag":0},"structure":{"a":5.866101544486862,"b":5.866101544486862,"c":6.58152008,"alpha":90,"beta":90,"gamma":120.00000005060403,"volume":196.13540436393615,"n_sites":11},"meta":{"prototype_id":"AB2C2D6_1126_spg147","decomposition":" Th(PO3)4  ThF4 ","run_timestamp":"2024-09-13 12:46:04.666033"},"composition":{"Th":1,"P":2,"O":6,"F":2}}}