• Formula : V2Pb(OF4)2
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.9854
    b = 5.5186
    c = 7.1467
    α = 106.894
    β = 107.255
    γ = 90.353
  • Number of atoms per primitive cell = 13
    Total number of electrons per primitive cell = 108
  • Band gap = 3.0226 eV
    Direct Gap = 3.122 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 424541

Band structure with spin-orbit coupling