• Formula : CdS
  • Space Group : I2mm (44)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 3.471
    b = 4.873
    c = 3.399
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 18
  • Band gap = 0.0 eV
    Direct Gap = 2.665 eV
    Metallicity = 0.027
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 600773

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes