• Formula : GaAu2
  • Space Group : Cmc2_1 (36)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 3.199
    b = 18.023
    c = 6.999
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 140
  • Band gap = 0.0 eV
    Direct Gap = 0.030 eV
    Metallicity = 0.239
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Kristallstruktur von Au2 Ga,
    Journal of the Less-Common Metals 38, 83 (1974)

Band structure with spin-orbit coupling