• Formula : Li2CdPb
  • Space Group : F-43m (216)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.837
    b = 6.837
    c = 6.837
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 32
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.303
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    X-ray analysis of Li2 Cd Pb compound,
    Japanese Journal of Applied Physics 12, 743 (1973)

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes