• Formula : In2Ge2O7
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 6.59
    b = 4.91
    c = 8.72
    α = 90.0
    β = 90.0
    γ = 102.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 76
  • Band gap = 2.3152 eV
    Direct Gap = 2.315 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    About the crystal structure of indium pyrogermanate In2 Ge2 O7,
    Doklady Akademii Nauk SSSR 213, 837 (1973)

Band structure with spin-orbit coupling