• Formula : V2H2O5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 12.1713
    b = 2.9941
    c = 4.834
    α = 90.0
    β = 98.37
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 58
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.176
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 260368

Band structure with spin-orbit coupling