• Formula : Cu2GeO4
  • Space Group : I4_1/amd (141)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.593
    b = 5.593
    c = 9.395
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 100
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.845
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High pressure synthesis of Cu2 Ge O4 with Hausmannite structure,
    Materials Research Bulletin 16, 413 (1981)

Band structure with spin-orbit coupling