• Formula : CuGeO3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.783
    b = 6.718
    c = 6.157
    α = 90.0
    β = 92.387
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 132
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.372
    Topological Z2 indices ν = (1;101)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural basis for high-pressure polymorphism in Cu Ge O3,
    Physical Review, Serie 3. B - Condensed Matter (18,1978-) 65, 134105-1 (2002)

Band structure with spin-orbit coupling