• Formula : Nb3Au
  • Space Group : Pm-3n (223)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.215
    b = 5.215
    c = 5.215
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 100
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.689
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Effect of Cr and Fe impurities on superconducting A-15 Nb76 Au24 and Ti75 Sb25,
    Physica B and C (Netherland) (79,1975-) 141, 185 (1986)

Band structure with spin-orbit coupling