• Formula : Y2Au
  • Space Group : Pnma (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.115
    b = 4.933
    c = 8.908
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 132
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.595
    Topological Z2 indices ν = (0;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Two new compounds, \b-ScTe and Y~3~Au~2~, and a reassessment of Y~2~Au,
    Acta Crystallographica Section C 67, i53 (2011)

Band structure with spin-orbit coupling