{"success":true,"data":{"mat_id":"agm010716995","formula":"Ba2CaNd3(NiO5)2","summary":{"formula":"Ba2CaNd3(NiO5)2","spg":5,"spg_symbol":"C2","crystal_system":"monoclinic","point_group":"2","nsites":18,"n_elements":5,"elements":["Ba","Ca","Nd","Ni","O"]},"energy":{"e_above_hull":0.009366222,"e_form":-2.812917,"energy_corrected":-131.947,"energy_total":-120.59609863},"electronic":{"band_gap_ind":0.0555,"band_gap_dir":0.0555,"dos_ef":0.90572447},"magnetic":{"total_mag":2.9759674},"structure":{"a":6.8133157295288385,"b":6.8133157295288385,"c":7.074542078895763,"alpha":77.4130564794181,"beta":77.4130564794181,"gamma":117.45029915332255,"volume":264.51443521214856,"n_sites":18},"meta":{"prototype_id":"AB2C2D3E10_29_spg5","decomposition":" BaNd2NiO5  Ba3Nd2Ni3O10  CaO  Nd2O3 ","run_timestamp":"2024-11-16 03:16:31.535127"},"composition":{"Ba":2,"Ca":1,"Nd":3,"Ni":2,"O":10}}}