• Formula : InI
  • Space Group : Ccmm (63)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.75
    b = 12.76
    c = 4.91
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 40
  • Band gap = 1.1696 eV
    Direct Gap = 1.170 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 38129

Band structure with spin-orbit coupling