• Formula : Ti6Ge5
  • Space Group : Ibam (72)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 16.915
    b = 7.954
    c = 5.233
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 184
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.729
    Topological Z2 indices ν = (0;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure des phase binaires V~6~ Si~5~ et Ti~6~ Ge~5~,
    Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 93, 23 (1970)

Band structure with spin-orbit coupling