{"success":true,"data":{"mat_id":"agm045820179","formula":"Ba4Sc(IrO4)3","summary":{"formula":"Ba4Sc(IrO4)3","spg":166,"spg_symbol":"R-3m","crystal_system":"trigonal","point_group":"-3m","nsites":20,"n_elements":4,"elements":["Ba","Sc","Ir","O"]},"energy":{"e_above_hull":0,"e_form":-2.412369,"energy_corrected":-148.35136,"energy_total":-139.92388939},"electronic":{"band_gap_ind":0,"band_gap_dir":0.0004,"dos_ef":12.90631},"magnetic":{"total_mag":-0.0028522},"structure":{"a":10.317244689324472,"b":10.317244680959961,"c":10.317244680138831,"alpha":33.01672583570367,"beta":33.016725859517,"gamma":33.0167258692237,"volume":290.17416311965394,"n_sites":20},"meta":{"prototype_id":"AB3C4D12_44_spg166","decomposition":" BaIrO3  Ba3ScIr2O9 ","run_timestamp":"2024-12-05 15:24:04"},"composition":{"Ba":4,"Sc":1,"Ir":3,"O":12}}}