• Formula : Sb3Au
  • Space Group : Im-3m (229)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.08
    b = 6.08
    c = 6.08
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 26
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.613
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Electron diffraction examination of metastable phases in the alloys Au-Sb, In-Sb, In-Bi and In-Bi-Sb,
    Fizika Metallov i Metallovedenie 11, 229 (1961)

Band structure with spin-orbit coupling