{"success":true,"data":{"mat_id":"agm041435239","formula":"NdTh2Ru3","summary":{"formula":"NdTh2Ru3","spg":191,"spg_symbol":"P6\/mmm","crystal_system":"hexagonal","point_group":"6\/mmm","nsites":6,"n_elements":3,"elements":["Nd","Th","Ru"]},"energy":{"e_above_hull":0.20763515,"e_form":-0.21139231,"energy_corrected":-48.713013,"energy_total":-48.7130114},"electronic":{"band_gap_ind":0,"band_gap_dir":0,"dos_ef":3.721586},"magnetic":{"total_mag":-1.0e-7},"structure":{"a":6.283834199680034,"b":6.283834199680034,"c":4.1513981,"alpha":90,"beta":90,"gamma":119.99999999663123,"volume":141.96276486191462,"n_sites":6},"meta":{"prototype_id":"AB2C3_1_spg191","decomposition":" Nd7Ru3  ThRu  NdRu2 ","run_timestamp":"2024-09-13 13:46:12.819548"},"composition":{"Nd":1,"Th":2,"Ru":3}}}