{"success":true,"data":{"mat_id":"agm010879945","formula":"Cs2NdTa6(Br5O)3","summary":{"formula":"Cs2NdTa6(Br5O)3","spg":163,"spg_symbol":"P-31c","crystal_system":"trigonal","point_group":"-3m","nsites":54,"n_elements":5,"elements":["Cs","Nd","Ta","Br","O"]},"energy":{"e_above_hull":0.0023838114,"e_form":-1.5414037,"energy_corrected":-318.37338,"energy_total":-314.15965531},"electronic":{"band_gap_ind":1.2794,"band_gap_dir":1.2879,"dos_ef":-0.026604},"magnetic":{"total_mag":-3.27e-5},"structure":{"a":9.61398347545863,"b":9.61398347545863,"c":18.89248001,"alpha":90,"beta":90,"gamma":119.99999996874816,"volume":1512.2595850690625,"n_sites":54},"meta":{"prototype_id":"AB2C3D6E15_0_spg15","decomposition":" Cs2(TaBr3)3  CsNd2Br7  CsNd(TaBr3)6  Ta2O5  Ta ","run_timestamp":"2024-08-24 23:47:49.389268"},"composition":{"Cs":4,"Nd":2,"Ta":12,"Br":30,"O":6}}}