• Formula : Li4TeO5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.175
    b = 7.749
    c = 5.098
    α = 101.86
    β = 102.02
    γ = 107.75
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 96
  • Band gap = 0.0 eV
    Direct Gap = 0.023 eV
    Metallicity = 0.455
    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