• Formula : LiVO3
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 10.158
    b = 8.4175
    c = 5.8853
    α = 90.0
    β = 110.48
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 136
  • Band gap = 3.0371 eV
    Direct Gap = 3.197 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 2899

Band structure with spin-orbit coupling