• Formula : Cu2GeTe3
  • Space Group : Im2m (44)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 12.641
    b = 4.2115
    c = 5.9261
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 44
  • Band gap = 0.0 eV
    Direct Gap = 0.008 eV
    Metallicity = 0.217
    Topological Z2 indices ν = (1;010)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 151872

Band structure with spin-orbit coupling

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