• Formula : TiTe2
  • Space Group : P-3m1 (164)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 3.777
    b = 3.777
    c = 6.498
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 3
    Total number of electrons per primitive cell = 24
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.346
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Etude comparative des composes Ti X~2~ (X= S, Se, Te). Structures de Ti Te~2~ et Ti Se Te,
    Journal of Solid State Chemistry 39, 230 (1981)

Band structure with spin-orbit coupling