• Formula : V2WO6
  • Space Group : P4_2/mnm (136)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.6213
    b = 4.6213
    c = 8.8864
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 152
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.542
    Topological Z2 indices ν = (0;110)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structure cristalline de W2 O6 sur monocristal a 298 et 383K,
    Acta Crystallographica B (24,1968-38,1982) 34, 3543 (1978)

Band structure with spin-orbit coupling