• Formula : Ge
  • Space Group : P4_32_12 (96)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.93
    b = 5.93
    c = 6.98
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 48
  • Band gap = 0.4676 eV
    Direct Gap = 0.468 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystal structures of new forms of silicon and germanium Locality: synthetic,
    Acta Crystallographica 17, 752 (1964)

Band structure with spin-orbit coupling

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