{"success":true,"data":{"mat_id":"agm004487409","formula":"Pa2Tl2Cl2O5","summary":{"formula":"Pa2Tl2Cl2O5","spg":139,"spg_symbol":"I4\/mmm","crystal_system":"tetragonal","point_group":"4\/mmm","nsites":11,"n_elements":4,"elements":["Pa","Tl","Cl","O"]},"energy":{"e_above_hull":0.048306845,"e_form":-2.9972167,"energy_corrected":-83.99803,"energy_total":-80.48658371},"electronic":{"band_gap_ind":2.5366,"band_gap_dir":2.6201,"dos_ef":0},"magnetic":{"total_mag":0},"structure":{"a":4.32629639,"b":4.32629639,"c":13.65255441946127,"alpha":99.11651912952368,"beta":99.11651912952368,"gamma":90,"volume":249.03515641300604,"n_sites":11},"meta":{"prototype_id":"A2B2C2D5_7_spg139","decomposition":" Pa2O5  TlCl ","run_timestamp":"2022-06-17 09:43:30.691004"},"composition":{"Pa":2,"Tl":2,"Cl":2,"O":5}}}