• Formula : Cd4SiS6
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 12.31
    b = 7.041
    c = 12.336
    α = 90.0
    β = 110.38
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 176
  • Band gap = 1.5312 eV
    Direct Gap = 1.531 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Struktur und Eigenschaften von Cd4 Si S6,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 388, 193 (1972)

Band structure with spin-orbit coupling