• Formula : V3Au
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.964
    b = 3.964
    c = 3.964
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 50
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.560
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The influence of impurities on the formation of the Cu3 Au - type structure from the Cr3 Si - type,
    Acta Crystallographica (1,1948-23,1967) 17, 213 (1964)

Band structure with spin-orbit coupling