• Formula : Ag2TeO3
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.004
    b = 10.547
    c = 4.917
    α = 90.0
    β = 91.44
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 184
  • Band gap = 1.6765 eV
    Direct Gap = 1.781 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Preparation chimique et structure cristalline des tellurites de sodium et d'argent: Na2 Te O3, Ag2 Te O3,
    Materials Research Bulletin 15, 431 (1980)

Band structure with spin-orbit coupling