{"success":true,"data":{"mat_id":"agm076970535","formula":"TlIBr2","summary":{"formula":"TlIBr2","spg":178,"spg_symbol":"P6_122","crystal_system":"hexagonal","point_group":"622","nsites":24,"n_elements":3,"elements":["Tl","I","Br"]},"energy":{"e_above_hull":0.03723192,"e_form":-0.43419895,"energy_corrected":-53.99368,"energy_total":-53.99368034},"electronic":{"band_gap_ind":2.1139,"band_gap_dir":2.1186,"dos_ef":0},"magnetic":{"total_mag":-2.0e-7},"structure":{"a":8.737439968506798,"b":13.71345805429558,"c":13.68914750269749,"alpha":59.88588953886363,"beta":89.92985214986524,"gamma":90.050360290112,"volume":1418.850787796548,"n_sites":24},"meta":{"prototype_id":"ABC2_13680_spg178","decomposition":" TlBr2  I ","run_timestamp":"2025-03-02 07:25:07"},"composition":{"Tl":6,"I":6,"Br":12}}}