• Formula : NbFeTe2
  • Space Group : Pmna (53)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 7.922
    b = 7.239
    c = 6.243
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 132
  • Band gap = 0.0 eV
    Direct Gap = 0.010 eV
    Metallicity = 0.595
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    New layered ternary niobium tellurides: synthesis, structure and properties of NbMTe~2~ (M=Fe, Co),
    Inorganic Chemistry 31, 1050 (1992)

Band structure with spin-orbit coupling