• Formula : NbI3O
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 14.624
    b = 3.9905
    c = 12.602
    α = 90.0
    β = 120.24
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 80
  • Band gap = 0.8135 eV
    Direct Gap = 0.850 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 418088

Band structure with spin-orbit coupling