• Formula : Sn2Au
  • Space Group : Pbca (61)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.909
    b = 7.037
    c = 11.789
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 312
  • Band gap = 0.0 eV
    Direct Gap = 0.037 eV
    Metallicity = 0.492
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zum Aufbau der Systeme Gold-Indium, Gold-Zinn, Gold-Indium Zinn uns Gold-Zinn-Antimon,
    Zeitschrift fuer Metallkunde 50, 146 (1959)

Band structure with spin-orbit coupling