{"success":true,"data":{"mat_id":"agm033644567","formula":"KTl2Cl3","summary":{"formula":"KTl2Cl3","spg":139,"spg_symbol":"I4\/mmm","crystal_system":"tetragonal","point_group":"4\/mmm","nsites":6,"n_elements":3,"elements":["K","Tl","Cl"]},"energy":{"e_above_hull":0.000768585,"e_form":-1.6279857,"energy_corrected":-19.364199,"energy_total":-19.36419799},"electronic":{"band_gap_ind":3.1458,"band_gap_dir":3.1527,"dos_ef":0},"magnetic":{"total_mag":0},"structure":{"a":10.228443366287193,"b":10.228443366287193,"c":10.228443366287193,"alpha":154.19103431744566,"beta":154.19103431744566,"gamma":36.8219993436114,"volume":202.55846879369793,"n_sites":6},"meta":{"prototype_id":"AB2C3_103_spg139","decomposition":" KTl3Cl4  K3TlCl4 ","run_timestamp":"2024-11-23 23:34:24.731820"},"composition":{"K":1,"Tl":2,"Cl":3}}}