• Formula : KClO2
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.647
    b = 5.585
    c = 7.085
    α = 90.0
    β = 109.63
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 112
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.426
    Topological Z2 indices ν = (0;010)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The Crystal Structure of Potassium Chlorate _cod_database_code 1010217,
    Zeitschrift fur Kristallographie 71, 501 (1929)

Band structure with spin-orbit coupling