• Formula : KAu(IO3)4
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 5.6484
    b = 7.1935
    c = 8.1377
    α = 105.264
    β = 93.585
    γ = 111.84
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 120
  • Band gap = 2.254 eV
    Direct Gap = 2.290 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 417267

Band structure with spin-orbit coupling