• Formula : Na4TeO5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.714
    b = 8.462
    c = 5.563
    α = 101.31
    β = 102.22
    γ = 109.25
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 144
  • Band gap = 2.3788 eV
    Direct Gap = 2.498 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Ein neues Oxotellurat, Na4 Te O5, und eine Revision der Struktur von Li4 Te O5,
    Journal of the Less-Common Metals 132, 79 (1987)

Band structure with spin-orbit coupling