• Formula : Li2B2C
  • Space Group : P-4m2 (115)
    Centrosymmetric : False
    Dimensionality : 2D
  • Structure parameters
    a = 4.1389
    b = 4.1389
    c = 7.1055
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 32
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.456
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A new tetragonal structure type for Li~2~B~2~C,
    Acta Crystallographica Section C 71, (2015)

Band structure with spin-orbit coupling