• Formula : KIO3
  • Space Group : R3 (146)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.89
    b = 5.89
    c = 5.89
    α = 62.4
    β = 62.4
    γ = 62.4
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 68
  • Band gap = 1.9552 eV
    Direct Gap = 1.956 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 247719

Band structure with spin-orbit coupling