• Formula : KCN
  • Space Group : Cm (8)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 5.5166
    b = 5.2662
    c = 3.7579
    α = 90.0
    β = 86.58
    γ = 90.0
  • Number of atoms per primitive cell = 3
    Total number of electrons per primitive cell = 18
  • Band gap = 5.6021 eV
    Direct Gap = 6.193 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 27352

Band structure with spin-orbit coupling