• Formula : Cd(HO)2
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.664
    b = 10.223
    c = 3.404
    α = 90.0
    β = 91.52
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 52
  • Band gap = 0.0243 eV
    Direct Gap = 0.237 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 40185

Band structure with spin-orbit coupling

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