• Formula : VBiPbO5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 13.6269
    b = 5.649
    c = 7.1963
    α = 90.0
    β = 113.85
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 144
  • Band gap = 1.9715 eV
    Direct Gap = 2.258 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 419122

Band structure with spin-orbit coupling