• Formula : V2PbO6
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 15.525
    b = 3.696
    c = 9.436
    α = 90.0
    β = 110.44
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 152
  • Band gap = 2.1335 eV
    Direct Gap = 2.170 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 36464

Band structure with spin-orbit coupling