• Formula : LiC2N3
  • Space Group : P2/c (13)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.3079
    b = 5.2489
    c = 11.4977
    α = 90.0
    β = 101.551
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 104
  • Band gap = 4.6615 eV
    Direct Gap = 4.874 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 425113

Band structure with spin-orbit coupling