• Formula : Ti5Te4
  • Space Group : I4/m (87)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.164
    b = 10.164
    c = 3.772
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.609
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Ti5 Te4,
    Acta Crystallographica (1,1948-23,1967) 14, 930 (1961)

Band structure with spin-orbit coupling