{"success":true,"data":{"mat_id":"agm030660352","formula":"BaCa2Ti2O7","summary":{"formula":"BaCa2Ti2O7","spg":139,"spg_symbol":"I4\/mmm","crystal_system":"tetragonal","point_group":"4\/mmm","nsites":12,"n_elements":4,"elements":["Ba","Ca","Ti","O"]},"energy":{"e_above_hull":0.02516825,"e_form":-3.46764,"energy_corrected":-98.03582,"energy_total":-93.11978768},"electronic":{"band_gap_ind":1.6418,"band_gap_dir":1.9318,"dos_ef":0},"magnetic":{"total_mag":0},"structure":{"a":10.354580358733543,"b":10.35458035563915,"c":10.35458036224837,"alpha":157.97509202348715,"beta":157.97509203764562,"gamma":31.345958884666693,"volume":156.01655375532474,"n_sites":12},"meta":{"prototype_id":"AB2C2D7_302_spg107","decomposition":" Ca2TiO4  CaTiO3  Ba3CaTi2O8 ","run_timestamp":"2024-12-09 05:33:14.863371"},"composition":{"Ba":1,"Ca":2,"Ti":2,"O":7}}}