{"success":true,"data":{"mat_id":"agm005751589","formula":"IrCl2F","summary":{"formula":"IrCl2F","spg":71,"spg_symbol":"Immm","crystal_system":"orthorhombic","point_group":"mmm","nsites":4,"n_elements":3,"elements":["Ir","Cl","F"]},"energy":{"e_above_hull":0.087890185,"e_form":-1.0762086,"energy_corrected":-17.094084,"energy_total":-17.09408342},"electronic":{"band_gap_ind":0,"band_gap_dir":0.414,"dos_ef":2.1965594},"magnetic":{"total_mag":0.0081288},"structure":{"a":3.526407182669396,"b":4.118072348981847,"c":6.690562755322204,"alpha":107.9080792177261,"beta":105.25928081508158,"gamma":90.00015340184224,"volume":88.8462924614525,"n_sites":4},"meta":{"prototype_id":"ABC2_213_spg44","decomposition":" Ir2(ClF)3  IrCl3 ","run_timestamp":"2023-07-14 15:45:21.759584"},"composition":{"Ir":1,"Cl":2,"F":1}}}