• Formula : Li3BN2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.1502
    b = 7.0824
    c = 6.7908
    α = 90.0
    β = 112.956
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 88
  • Band gap = 3.4359 eV
    Direct Gap = 3.802 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 41022

Band structure with spin-orbit coupling