• Formula : GaAu
  • Space Group : Pmnb (62)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.267
    b = 3.421
    c = 6.397
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 96
  • Band gap = 0.0 eV
    Direct Gap = 0.094 eV
    Metallicity = 0.370
    Topological Z2 indices ν = (1;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 58457

Band structure with spin-orbit coupling