• Formula : W2O7
  • Space Group : Fd-3m (227)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.206
    b = 10.206
    c = 10.206
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 140
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.848
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Une Nouvelle Forme de Trioxyde de Tungstene: Les Oxydes WO3 et WO3*0.5(H2O) a Structure Pyrochlore _cod_database_code 1001358,
    Materials Research Bulletin 23, 91 (1988)

Band structure with spin-orbit coupling