• Formula : Te2Au
  • Space Group : Pma2 (28)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 16.50999
    b = 8.8
    c = 4.45
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 184
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.593
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structure of Krennerite,
    Journal of the Washington Academy of Sciences 26, 507 (1936)

Band structure with spin-orbit coupling