{"success":true,"data":{"mat_id":"agm010732033","formula":"Nd3TaS2(O2F)2","summary":{"formula":"Nd3TaS2(O2F)2","spg":62,"spg_symbol":"Pnma","crystal_system":"orthorhombic","point_group":"mmm","nsites":48,"n_elements":5,"elements":["Nd","Ta","S","O","F"]},"energy":{"e_above_hull":0.004949488,"e_form":-3.5248876,"energy_corrected":-397.58893,"energy_total":-381.04460457},"electronic":{"band_gap_ind":2.7236,"band_gap_dir":2.7236,"dos_ef":0},"magnetic":{"total_mag":-2.0e-7},"structure":{"a":3.92973539,"b":11.07018884,"c":17.6778042,"alpha":90,"beta":90,"gamma":90,"volume":769.0359756427741,"n_sites":48},"meta":{"prototype_id":"AB2C2D3E4_5_spg62","decomposition":" NdTaO4  NdSF ","run_timestamp":"2024-09-22 22:40:30.953515"},"composition":{"Nd":12,"Ta":4,"S":8,"O":16,"F":8}}}