• Formula : TiFe2Sn
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.068
    b = 6.068
    c = 6.068
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 42
  • Band gap = 0.0 eV
    Direct Gap = 0.019 eV
    Metallicity = 0.026
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Magnetic properties of Heusler type alloys M2 X Sn (M= Fe, Co or Ni, X= Ti or V),
    Journal of Physics and Chemistry of Solids 33, 1443 (1972)

Band structure with spin-orbit coupling