• Formula : Sc2Te3
  • Space Group : Fddd (70)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 8.2223
    b = 11.6292
    c = 24.6085
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 160
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.217
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The sesquitelluride Sc~2~Te~3~,
    Acta Crystallographica Section E 62, i17 (2006)

Band structure with spin-orbit coupling