• Formula : Ti2Sn
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.653
    b = 4.653
    c = 5.7
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 76
  • Band gap = 0.0 eV
    Direct Gap = 0.016 eV
    Metallicity = 0.013
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A constitution diagram for the alloy system titanium-tin,
    Transactions of the American Society for Metals 49, 339 (1957)

Band structure with spin-orbit coupling