• Formula : TaFeTe3
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.407
    b = 3.625
    c = 9.966
    α = 90.0
    β = 109.16
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 78
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.821
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure of a new ternary chalcogenide: FeTa(\m~4~-Te)(\m~3~-Te)~2~,
    Acta Crystallographica Section C 49, 4 (1993)

Band structure with spin-orbit coupling