• Formula : NaLiV2O6
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 10.187
    b = 9.074
    c = 5.84
    α = 90.0
    β = 108.95
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 148
  • Band gap = 3.095 eV
    Direct Gap = 3.183 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 20836

Band structure with spin-orbit coupling