{"success":true,"data":{"mat_id":"agm005270540","formula":"Ca5Al11TlSi13O48","summary":{"formula":"Ca5Al11TlSi13O48","spg":1,"spg_symbol":"P1","crystal_system":"triclinic","point_group":"1","nsites":78,"n_elements":5,"elements":["Ca","Al","Tl","Si","O"]},"energy":{"e_above_hull":0.15264519,"e_form":-3.2192976,"energy_corrected":-613.17584,"energy_total":-579.46592051},"electronic":{"band_gap_ind":2.652,"band_gap_dir":2.6572,"dos_ef":0},"magnetic":{"total_mag":0.161449},"structure":{"a":12.133288342438005,"b":12.32509754963953,"c":12.616872457696132,"alpha":89.6895076570062,"beta":89.6489542314744,"gamma":89.49155843765378,"volume":1886.6402466363008,"n_sites":78},"meta":{"prototype_id":"AB5C11D13E48_0_spg1","decomposition":" AlTlSi3O8  CaAl2(SiO4)2 ","run_timestamp":"2024-10-10 22:33:55"},"composition":{"Ca":5,"Al":11,"Tl":1,"Si":13,"O":48}}}