• Formula : BH8N
  • Space Group : Pma2 (28)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 8.001
    b = 3.842
    c = 3.822
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 20
    Total number of electrons per primitive cell = 32
  • Band gap = 4.1825 eV
    Direct Gap = 4.883 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 247614

Band structure with spin-orbit coupling