• Formula : Nb2O5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.983
    b = 3.826
    c = 12.79
    α = 90.0
    β = 90.75
    γ = 90.0
  • Number of atoms per primitive cell = 7
    Total number of electrons per primitive cell = 56
  • Band gap = 2.6685 eV
    Direct Gap = 3.191 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 25765

Band structure with spin-orbit coupling