• Formula : LiAl2Ir
  • Space Group : Fm-3m (225)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.006
    b = 6.006
    c = 6.006
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 26
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.832
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Lithium - Platinmetall - Al(Ga,In)-Legierungen : Neue intermetallische Verbindungen,
    Journal of the Less-Common Metals 161, 303 (1990)

Band structure with spin-orbit coupling