{"success":true,"data":{"mat_id":"agm030697047","formula":"ZrTl2Fe3F12","summary":{"formula":"ZrTl2Fe3F12","spg":166,"spg_symbol":"R-3m","crystal_system":"trigonal","point_group":"-3m","nsites":18,"n_elements":4,"elements":["Zr","Tl","Fe","F"]},"energy":{"e_above_hull":0.03629515,"e_form":-2.9388409,"energy_corrected":-108.61449,"energy_total":-100.41548731},"electronic":{"band_gap_ind":2.6376,"band_gap_dir":2.6417,"dos_ef":0},"magnetic":{"total_mag":11.999993},"structure":{"a":7.925713356672304,"b":7.925713356672304,"c":7.925713360479279,"alpha":56.42102958900313,"beta":56.42102958900313,"gamma":56.42102959118566,"volume":322.91343506364353,"n_sites":18},"meta":{"prototype_id":"AB2C3D12_24_spg166","decomposition":" ZrTl2F6  FeF2 ","run_timestamp":"2024-09-13 14:26:03.119186"},"composition":{"Zr":1,"Tl":2,"Fe":3,"F":12}}}