• Formula : AlAu4
  • Space Group : P2_13 (198)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.9227
    b = 6.9227
    c = 6.9227
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 188
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.569
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Zur Kenntnis des beta-Mangan-Typs: Hochdrucksynthese und Strukturverfeinerung von Al Au4,
    Journal of the Less-Common Metals 161, 347 (1990)

Band structure with spin-orbit coupling