• Formula : Cd4GeS6
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 12.326
    b = 7.088
    c = 12.365
    α = 90.0
    β = 110.08
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 176
  • Band gap = 1.4332 eV
    Direct Gap = 1.433 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Red\'etermination de la Structure du Sulfure de Cadmium et de Germanium, Cd~4~GeS~6~,
    Acta Crystallographica Section C 51, 1966 (1995)

Band structure with spin-orbit coupling