• Formula : K2LiVO4
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 8.359
    b = 7.747
    c = 7.529
    α = 90.0
    β = 90.23
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 116
  • Band gap = 4.0171 eV
    Direct Gap = 4.066 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 65945

Band structure with spin-orbit coupling