Table Calculated crystal structure information of Sb2Si2Te6 and Sc2Si2Te6. The % differences to the experimental structures are given in parentheses. dlayer is the interlayer distance. Using HSE06+SOC with the doped package, the stability region (chemical potential limits) of Sc2Si2Te6 in the Sc-Si-Te chemical space was computed (Figure ), showing it to be thermodynamically stable with a relatively large stability window, suggesting ready synthesizability as witnessed experimentally. Figure displays the calculated electronic band structures and DOS of Sb2Si2Te6