{"success":true,"data":{"mat_id":"agm094381280","formula":"NdCl2F","summary":{"formula":"NdCl2F","spg":191,"spg_symbol":"P6\/mmm","crystal_system":"hexagonal","point_group":"6\/mmm","nsites":4,"n_elements":3,"elements":["Nd","Cl","F"]},"energy":{"e_above_hull":0.12776087,"e_form":-3.1769402,"energy_corrected":-21.408386,"energy_total":-21.40838686},"electronic":{"band_gap_ind":4.0698,"band_gap_dir":4.4001,"dos_ef":0},"magnetic":{"total_mag":0},"structure":{"a":5.14833932,"b":5.148339321366326,"c":4.55103344,"alpha":90,"beta":90,"gamma":119.99999999122092,"volume":104.46600443289526,"n_sites":4},"meta":{"prototype_id":"ABC2_40_spg38","decomposition":" NdCl3  NdF3 ","run_timestamp":"2025-04-06 15:22:29"},"composition":{"Nd":1,"Cl":2,"F":1}}}