• Formula : LiZn
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.234
    b = 6.234
    c = 6.234
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 30
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.837
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ultrasonic study on the eleastic moduli of the Na Tl (B32) structure,
    Journal of Physics and Chemistry of Solids 40, 457 (1979)

Band structure with spin-orbit coupling