• Formula : NaV2O4
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 13.2991
    b = 5.7104
    c = 4.9713
    α = 90.0
    β = 120.824
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 118
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.511
    Topological Z2 indices ν = (0;101)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    O'3-NaxVO2 System: A Superstructure for Na1/2VO2,
    Inorganic Chemistry 51, 11007 (2012)

Band structure with spin-orbit coupling