{"success":true,"data":{"mat_id":"agm010880188","formula":"Cs2PrTi6(Cl5O)3","summary":{"formula":"Cs2PrTi6(Cl5O)3","spg":163,"spg_symbol":"P-31c","crystal_system":"trigonal","point_group":"-3m","nsites":54,"n_elements":5,"elements":["Cs","Pr","Ti","Cl","O"]},"energy":{"e_above_hull":0.076329924,"e_form":-2.343825,"energy_corrected":-301.66397,"energy_total":-297.450239},"electronic":{"band_gap_ind":0.5324,"band_gap_dir":0.5324,"dos_ef":-0.4790474},"magnetic":{"total_mag":12.020416},"structure":{"a":9.240491533855385,"b":9.240491533855385,"c":17.96597028,"alpha":90,"beta":90,"gamma":119.99999995600618,"volume":1328.5302750987046,"n_sites":54},"meta":{"prototype_id":"AB2C3D6E15_0_spg15","decomposition":" CsTi2Cl7  Ti2O3  TiO  TiCl3  CsPr2Cl7 ","run_timestamp":"2024-09-22 21:37:04.381208"},"composition":{"Cs":4,"Pr":2,"Ti":12,"Cl":30,"O":6}}}