{"success":true,"data":{"mat_id":"agm008948705","formula":"Ba3B(ClO)3","summary":{"formula":"Ba3B(ClO)3","spg":2,"spg_symbol":"P-1","crystal_system":"triclinic","point_group":"-1","nsites":40,"n_elements":4,"elements":["Ba","B","Cl","O"]},"energy":{"e_above_hull":0.014764101,"e_form":-3.0687222,"energy_corrected":-247.0763,"energy_total":-238.64881996},"electronic":{"band_gap_ind":3.9295,"band_gap_dir":3.9699,"dos_ef":0},"magnetic":{"total_mag":0.0001003},"structure":{"a":9.221879874307772,"b":9.32309221288412,"c":12.836923480160344,"alpha":98.95773785782018,"beta":91.32952376968166,"gamma":117.09888886158124,"volume":964.9538517791499,"n_sites":40},"meta":{"prototype_id":"AB3C3D3_3_spg2","decomposition":" Ba2BClO3  BaCl2 ","run_timestamp":"2024-08-25 14:56:17.577335"},"composition":{"Ba":12,"B":4,"Cl":12,"O":12}}}