• Formula : KCN
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 5.505
    b = 5.1885
    c = 3.7286
    α = 90.0
    β = 85.27
    γ = 90.0
  • Number of atoms per primitive cell = 3
    Total number of electrons per primitive cell = 18
  • Band gap = 4.6894 eV
    Direct Gap = 5.539 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 27351

Band structure with spin-orbit coupling