{"success":true,"data":{"mat_id":"agm008291720","formula":"Ca(NbCl3)6","summary":{"formula":"Ca(NbCl3)6","spg":148,"spg_symbol":"R-3","crystal_system":"trigonal","point_group":"-3","nsites":25,"n_elements":3,"elements":["Ca","Nb","Cl"]},"energy":{"e_above_hull":0.003804888,"e_form":-1.8349864,"energy_corrected":-130.86455,"energy_total":-130.8645408},"electronic":{"band_gap_ind":0.8569,"band_gap_dir":0.8569,"dos_ef":-0.6494728},"magnetic":{"total_mag":-5.0e-7},"structure":{"a":10.26257718426345,"b":10.262577180007304,"c":10.262577182952644,"alpha":56.10243375052213,"beta":56.102433771973935,"gamma":56.102433745911355,"volume":695.3041912731139,"n_sites":25},"meta":{"prototype_id":"AB6C18_4_spg148","decomposition":" Nb3Cl8  CaCl2 ","run_timestamp":"2024-12-22 08:14:22"},"composition":{"Ca":1,"Nb":6,"Cl":18}}}