• Formula : LiBeN
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.54
    b = 4.76
    c = 5.807
    α = 90.0
    β = 124.9
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 48
  • Band gap = 2.7254 eV
    Direct Gap = 2.963 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 402341

Band structure with spin-orbit coupling