Sc2Si2Te6 (VBM at Γ and CBM at Σ), there is a significant difference in their k-point degeneracy. For the VBM, the k-point degeneracy is 1 in both systems. However, the CBM in Sc2Si2Te6 displays a notably higher k-point degeneracy of 18, as opposed to the value of 1 in Sb2Si2Te6. The band-decomposed charge density of the CBM in Sc2Si2Te6 can provide insights into the high band degeneracy, exhibiting hexagonal symmetry (6-fold degenerate) along the in-plane direction, as seen in Figure . Due to the crystal symmetry (hexagonal ABC stacking) and orbital symmetry (hybridized dx 2y 2 , dxz and dz 2 , Figures and), there are two other diagonal cross-plane directions (corresponding to the Σˊ k-point) which are also degenerate and exhibit hexagonal (6fold) symmetry. Therefore, the total k-point degeneracy of the CBM state in Sc2Si2Te6 is 18. To further elucidate this point, the Fermi surfaces are plotted at 0.1 eV above (below) the CBM (VBM) using the IFermi package (Figure ). Due to the symmetry of the Brillouin zone, there is two half electron (hole) pockets at the Z point for Sb2Si2Te6 and thus the k-point degeneracy is 1 for both VBM and CBM (Figure ).