• Formula : LiMoO2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 10.543
    b = 2.8626
    c = 10.899
    α = 90.0
    β = 153.29
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 58
  • Band gap = 0.0 eV
    Direct Gap = 0.023 eV
    Metallicity = 0.825
    Topological Z2 indices ν = (0;111)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 165326

Band structure with spin-orbit coupling