{"success":true,"data":{"mat_id":"agm040909879","formula":"NdSc2(TlSe2)3","summary":{"formula":"NdSc2(TlSe2)3","spg":12,"spg_symbol":"C2\/m","crystal_system":"monoclinic","point_group":"2\/m","nsites":12,"n_elements":4,"elements":["Nd","Sc","Tl","Se"]},"energy":{"e_above_hull":0.014874631,"e_form":-1.2796941,"energy_corrected":-60.8342,"energy_total":-60.83420043},"electronic":{"band_gap_ind":1.0019,"band_gap_dir":1.0866,"dos_ef":-0.0078685},"magnetic":{"total_mag":-1.0e-7},"structure":{"a":9.963737031975224,"b":9.963737024703127,"c":9.072835257054152,"alpha":69.21235268066931,"beta":110.78764730446072,"gamma":156.2410371060703,"volume":338.1823168123317,"n_sites":12},"meta":{"prototype_id":"AB2C3D6_125_spg2","decomposition":" ScTlSe2  NdTlSe2 ","run_timestamp":"2025-03-07 08:54:47"},"composition":{"Nd":1,"Sc":2,"Tl":3,"Se":6}}}