{"success":true,"data":{"mat_id":"agm040406337","formula":"Nd3NiSe2","summary":{"formula":"Nd3NiSe2","spg":139,"spg_symbol":"I4\/mmm","crystal_system":"tetragonal","point_group":"4\/mmm","nsites":6,"n_elements":3,"elements":["Nd","Ni","Se"]},"energy":{"e_above_hull":0.077112965,"e_form":-1.2592525,"energy_corrected":-34.637722,"energy_total":-34.63772222},"electronic":{"band_gap_ind":0,"band_gap_dir":0,"dos_ef":5.873906},"magnetic":{"total_mag":-0.0002759},"structure":{"a":9.386481037876543,"b":9.386481030902925,"c":9.386481036424561,"alpha":154.17914482784124,"beta":154.17914483759864,"gamma":36.839273289430544,"volume":156.67570118414014,"n_sites":6},"meta":{"prototype_id":"AB2C3_648_spg12","decomposition":" Nd6NiSe5  NdNi ","run_timestamp":"2025-04-14 05:08:19"},"composition":{"Nd":3,"Ni":1,"Se":2}}}