• Formula : KCN
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 9.103
    b = 4.606
    c = 7.433
    α = 90.0
    β = 122.22
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 36
  • Band gap = 5.131 eV
    Direct Gap = 5.273 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 173942

Band structure with spin-orbit coupling