• Formula : TeI
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.021
    b = 9.952
    c = 7.995
    α = 103.05
    β = 104.37
    γ = 90.08
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 104
  • Band gap = 0.7663 eV
    Direct Gap = 0.767 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High-temperature synthesis and structure redetermination of Te~4~I~4~,
    Acta Crystallographica Section C 47, 2642 (1991)

Band structure with spin-orbit coupling