• Formula : IO3
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.402
    b = 6.91
    c = 6.863
    α = 98.96
    β = 95.16
    γ = 105.01
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 100
  • Band gap = 1.7136 eV
    Direct Gap = 1.767 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 182673

Band structure with spin-orbit coupling