• Formula : InAu3
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.864
    b = 4.746
    c = 5.168
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 92
  • Band gap = 0.0 eV
    Direct Gap = 0.037 eV
    Metallicity = 0.774
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ueber messingartige Phasen mit A3-verwandter Struktur,
    Zeitschrift fuer Metallkunde 50, 442 (1959)

Band structure with spin-orbit coupling