• Formula : V2ZnO6
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 9.242
    b = 3.526
    c = 6.574
    α = 90.0
    β = 111.55
    γ = 90.0
  • Number of atoms per primitive cell = 9
    Total number of electrons per primitive cell = 74
  • Band gap = 2.1247 eV
    Direct Gap = 2.204 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 26998

Band structure with spin-orbit coupling