• Formula : TiTe
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.86
    b = 3.86
    c = 6.325
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 36
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.456
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Constitutional study of the Ti, Zr and Hf tellurides,
    Metalurgija, Croatia 31, 107 (1992)

Band structure with spin-orbit coupling