• Formula : LiVO2
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 2.8373
    b = 2.8373
    c = 14.7734
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 28
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.513
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural studies of Li0.7 V O2 in the temperature range 20-300 C,
    Journal of Solid State Chemistry 72, 234 (1988)

Band structure with spin-orbit coupling