• Formula : NaV2Bi3O10
  • Space Group : P1 (1)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 7.0613
    b = 7.2086
    c = 5.5343
    α = 113.328
    β = 84.479
    γ = 112.249
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 140
  • Band gap = 1.6199 eV
    Direct Gap = 1.676 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 88455

Band structure with spin-orbit coupling