• Formula : VPO5
  • Space Group : Cc (9)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.2659
    b = 6.8934
    c = 7.2651
    α = 90.0
    β = 115.3396
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 96
  • Band gap = 1.782 eV
    Direct Gap = 1.818 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 415924

Band structure with spin-orbit coupling