{"success":true,"data":{"mat_id":"agm006664628","formula":"NdCu3(BiH6)2","summary":{"formula":"NdCu3(BiH6)2","spg":166,"spg_symbol":"R-3m","crystal_system":"trigonal","point_group":"-3m","nsites":18,"n_elements":4,"elements":["Nd","Cu","Bi","H"]},"energy":{"e_above_hull":0.25353426,"e_form":0.080390796,"energy_corrected":-62.443916,"energy_total":-62.44391468},"electronic":{"band_gap_ind":0.1023,"band_gap_dir":0.2815,"dos_ef":4.47071},"magnetic":{"total_mag":-4.0e-7},"structure":{"a":6.266048788172582,"b":6.266048788172582,"c":6.266048793785844,"alpha":63.637676853243846,"beta":63.637676853243846,"gamma":63.63767685429049,"volume":187.94540387644193,"n_sites":18},"meta":{"prototype_id":"AB2C3D12_24_spg166","decomposition":" BiH9  NdH3  Cu  BiH2 ","run_timestamp":"2024-08-13 21:52:39.060641"},"composition":{"Nd":1,"Cu":3,"Bi":2,"H":12}}}