• Formula : Na2GeTeO6
  • Space Group : P-31c (163)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.0958
    b = 5.0958
    c = 10.6325
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 128
  • Band gap = 3.1747 eV
    Direct Gap = 3.278 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 88789

Band structure with spin-orbit coupling