• Formula : V2Pb3O8
  • Space Group : C2 (5)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.46
    b = 6.191
    c = 9.348
    α = 90.0
    β = 116.63
    γ = 90.0
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 116
  • Band gap = 2.3727 eV
    Direct Gap = 2.545 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 29359

Band structure with spin-orbit coupling