• Formula : Li2ZnGe
  • Space Group : F-43m (216)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 6.1136
    b = 6.1136
    c = 6.1136
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 22
  • Band gap = 0.0 eV
    Direct Gap = 0.419 eV
    Metallicity = 0.069
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis, crystal and electronic structure of Li8 Zn2 Ge3, a compound displaying an open layered anionic network,
    Solid State Sciences 8, 208 (2006)

Band structure with spin-orbit coupling

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