• Formula : KIO4
  • Space Group : I4_1/a (88)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.13
    b = 8.13
    c = 12.63
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 80
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.338
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Atomanordnung in den tetragonalen Kristallen von K~2~ J~2~ O~8~, Kaliummetaperjodat.,
    Zeitschrift fuer Physik 39, 308 (1926)

Band structure with spin-orbit coupling