• Formula : NaCr(GeO3)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.9151
    b = 8.8441
    c = 5.4595
    α = 90.0
    β = 107.548
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 134
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.468
    Topological Z2 indices ν = (1;011)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Chromium-based clinopyroxene-type germanates NaCrGe~2~O~6~ and LiCrGe~2~O~6~ at 298K,
    Acta Crystallographica Section C 64, i97 (2008)

Band structure with spin-orbit coupling