• Formula : LiB
  • Space Group : Pbmm (51)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.019
    b = 6.961
    c = 3.102
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 24
  • Band gap = 0.0 eV
    Direct Gap = 0.004 eV
    Metallicity = 0.395
    Topological Z2 indices ν = (0;001)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 236961

Band structure with spin-orbit coupling