• Formula : Ge(TeO3)2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.2201
    b = 6.973
    c = 7.3252
    α = 90.0
    β = 91.66
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 104
  • Band gap = 3.9301 eV
    Direct Gap = 4.065 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    GeTe~2~O~6~, a germanium tellurate(IV) with an open framework,
    Acta Crystallographica Section C 65, i23 (2009)

Band structure with spin-orbit coupling