{"success":true,"data":{"mat_id":"agm005652860","formula":"Ti3(ICl2)2","summary":{"formula":"Ti3(ICl2)2","spg":187,"spg_symbol":"P-6m2","crystal_system":"hexagonal","point_group":"-6m2","nsites":9,"n_elements":3,"elements":["Ti","I","Cl"]},"energy":{"e_above_hull":0.10654179,"e_form":-1.4024757,"energy_corrected":-44.42271,"energy_total":-44.42270889},"electronic":{"band_gap_ind":0.1655,"band_gap_dir":0.1655,"dos_ef":0.9534187},"magnetic":{"total_mag":0},"structure":{"a":3.4588157,"b":3.458815212247181,"c":25.60516177000003,"alpha":89.99999924648131,"beta":89.99999810699944,"gamma":120.0000046648152,"volume":265.2851361586253,"n_sites":9},"meta":{"prototype_id":"A2B3C4_149_spg156","decomposition":" TiCl2  TiI3  TiCl ","run_timestamp":"2023-06-26 21:23:20.090248"},"composition":{"Ti":3,"I":2,"Cl":4}}}