{"success":true,"data":{"mat_id":"agm034884915","formula":"NdTh2S3","summary":{"formula":"NdTh2S3","spg":139,"spg_symbol":"I4\/mmm","crystal_system":"tetragonal","point_group":"4\/mmm","nsites":6,"n_elements":3,"elements":["Nd","Th","S"]},"energy":{"e_above_hull":0.009669319,"e_form":-2.2328618,"energy_corrected":-45.396652,"energy_total":-43.40627096},"electronic":{"band_gap_ind":0,"band_gap_dir":0,"dos_ef":3.2899737},"magnetic":{"total_mag":-1.7e-6},"structure":{"a":9.040831976070164,"b":9.040831978854458,"c":9.040831977588144,"alpha":154.10473449098043,"beta":154.10473448692366,"gamma":36.947392930385604,"volume":140.74684296172418,"n_sites":6},"meta":{"prototype_id":"AB2C3_103_spg139","decomposition":" Nd3ThS4  NdTh3S4 ","run_timestamp":"2025-02-28 20:21:33"},"composition":{"Nd":1,"Th":2,"S":3}}}