• Formula : VTeO4
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.379
    b = 13.502
    c = 5.446
    α = 90.0
    β = 91.72
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 172
  • Band gap = 0.0 eV
    Direct Gap = 0.019 eV
    Metallicity = 0.920
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    L'oxyde double Te V O4. II. Structure cristalline de Te V O4-beta - Relations structurales,
    Journal of Solid State Chemistry 6, 67 (1973)

Band structure with spin-orbit coupling