• Formula : VO2
  • Space Group : F222 (22)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 13.015
    b = 12.597
    c = 5.795
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 200
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.748
    Topological Z2 indices ν = ?
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 34419

Band structure with spin-orbit coupling