• Formula : Cd(CN)2
  • Space Group : P-43m (215)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.301
    b = 6.301
    c = 6.301
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 60
  • Band gap = 5.9885 eV
    Direct Gap = 6.081 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 66938

Band structure with spin-orbit coupling