• Formula : KClO2
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.1446
    b = 6.3798
    c = 7.3755
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 56
  • Band gap = 2.279 eV
    Direct Gap = 3.000 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Two alkali metal chlorites, LiClO~2~ and KClO~2~,
    Acta Crystallographica Section C 61, i17 (2005)

Band structure with spin-orbit coupling