• Formula : Na2Cu2TeO6
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 5.7059
    b = 8.6751
    c = 5.938
    α = 90.0
    β = 113.74
    γ = 90.0
  • Number of atoms per primitive cell = 11
    Total number of electrons per primitive cell = 82
  • Band gap = 0.0768 eV
    Direct Gap = 0.144 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis, Structure, and Magnetic Properties of the Layered Copper(II) Oxide Na2Cu2TeO6,
    Inorganic Chemistry 44, 5042 (2005)

Band structure with spin-orbit coupling