• Formula : V2Pb3O8
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.492
    b = 6.176
    c = 9.404
    α = 90.0
    β = 116.57
    γ = 90.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 116
  • Band gap = 2.7495 eV
    Direct Gap = 2.762 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 67604

Band structure with spin-orbit coupling