• Formula : KTeAu
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.646
    b = 4.646
    c = 9.744
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 52
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.029
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    KAuTe, Synthese und Struktur des ersten Alkalimetallgoldtellurids,
    Journal of the Less-Common Metals 160, 181 (1990)

Band structure with spin-orbit coupling