• Formula : KBrO3
  • Space Group : R3m (160)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 4.4104
    b = 4.4104
    c = 4.4104
    α = 85.961
    β = 85.961
    γ = 85.961
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 34
  • Band gap = 3.8919 eV
    Direct Gap = 3.892 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 74767

Band structure with spin-orbit coupling