• Formula : KClO3
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.6569
    b = 5.59089
    c = 7.0991
    α = 90.0
    β = 109.648
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 68
  • Band gap = 5.6268 eV
    Direct Gap = 5.635 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 26409

Band structure with spin-orbit coupling