• Formula : Ti6Sn5
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.248
    b = 9.248
    c = 5.69
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 284
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.764
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Einige Strukturdaten metallischenr Phasen (VIII),
    Naturwissenschaften 50, 41 (1963)

Band structure with spin-orbit coupling