• Formula : NbTe2
  • Space Group : P4/m (83)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.4835
    b = 6.4835
    c = 6.8217
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 50
  • Band gap = 0.0 eV
    Direct Gap = 0.007 eV
    Metallicity = 0.538
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The low-temperature structure of NbTe~4~,
    Acta Crystallographica Section B 50, 649 (1994)

Band structure with spin-orbit coupling