• Formula : V2Ni(TeO5)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.7961
    b = 6.3747
    c = 6.5643
    α = 84.651
    β = 69.49
    γ = 72.011
  • Number of atoms per primitive cell = 15
    Total number of electrons per primitive cell = 108
  • Band gap = 0.0 eV
    Direct Gap = 0.025 eV
    Metallicity = 0.623
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Nickel vanadium tellurium oxide, NiV~2~Te~2~O~10~,
    Acta Crystallographica Section C 65, i9 (2009)

Band structure with spin-orbit coupling