• Formula : Cs2GeS4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 14.721
    b = 7.364
    c = 9.82
    α = 90.0
    β = 122.43
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 92
  • Band gap = 2.4232 eV
    Direct Gap = 2.451 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Cs~4~Ge~2~S~8~,
    Acta Crystallographica Section E 59, i137 (2003)

Band structure with spin-orbit coupling