• Formula : ClO3
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 5.563
    b = 8.613
    c = 9.785
    α = 90.0
    β = 100.56
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 100
  • Band gap = 1.0463 eV
    Direct Gap = 1.055 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 61334

Band structure with spin-orbit coupling