{"success":true,"data":{"mat_id":"agm017302561","formula":"Tl2NiCl4","summary":{"formula":"Tl2NiCl4","spg":139,"spg_symbol":"I4\/mmm","crystal_system":"tetragonal","point_group":"4\/mmm","nsites":7,"n_elements":3,"elements":["Tl","Ni","Cl"]},"energy":{"e_above_hull":0.017935807,"e_form":-1.1545858,"energy_corrected":-23.61393,"energy_total":-23.61393035},"electronic":{"band_gap_ind":0.5532,"band_gap_dir":0.5532,"dos_ef":-0.600491},"magnetic":{"total_mag":0.156154},"structure":{"a":6.665461291956718,"b":6.665461287314825,"c":6.665461285558598,"alpha":114.88437361747918,"beta":114.88437358817556,"gamma":99.11538288992898,"volume":222.5306074483812,"n_sites":7},"meta":{"prototype_id":"AB2C4_34_spg121","decomposition":" NiCl2  TlCl ","run_timestamp":"2025-04-17 23:29:37"},"composition":{"Tl":2,"Ni":1,"Cl":4}}}