• Formula : Al2Ge2O7
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.132
    b = 7.741
    c = 9.702
    α = 90.0
    β = 110.62
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 112
  • Band gap = 3.942 eV
    Direct Gap = 3.942 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of a new digermanate: Al2 Ge2 O7,
    Journal of Solid State Chemistry 62, 402 (1986)

Band structure with spin-orbit coupling