• Formula : KC2IN2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.3637
    b = 4.5144
    c = 9.08
    α = 90.0
    β = 92.56
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 34
  • Band gap = 4.3089 eV
    Direct Gap = 4.378 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 40370

Band structure with spin-orbit coupling