• Formula : Y3Sb4Au3
  • Space Group : I-43d (220)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 9.818
    b = 9.818
    c = 9.818
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 172
  • Band gap = 0.5301 eV
    Direct Gap = 0.673 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Yttrium-gold-antimony,
    Acta Crystallographica B (24,1968-38,1982) 33, 1579 (1977)

Band structure with spin-orbit coupling