• Formula : In2Se3
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.05
    b = 4.05
    c = 29.41
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.378
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structures of alpha and beta selenide, = In2 Se3,
    Journal of the Physical Society of Japan 21, 1848 (1966)

Band structure with spin-orbit coupling