• Formula : V2Pb3O8
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.4637
    b = 6.1951
    c = 9.3526
    α = 90.0
    β = 116.6
    γ = 90.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 116
  • Band gap = 2.5077 eV
    Direct Gap = 2.573 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 69800

Band structure with spin-orbit coupling