• Formula : VBiPbO5
  • Space Group : P-1 (2)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 7.084
    b = 7.278
    c = 5.587
    α = 111.91
    β = 95.01
    γ = 108.86
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 144
  • Band gap = 2.2379 eV
    Direct Gap = 2.437 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 56791

Band structure with spin-orbit coupling