• Formula : B5H9
  • Space Group : I4mm (107)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 7.16
    b = 7.16
    c = 5.38
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 24
  • Band gap = 4.3882 eV
    Direct Gap = 4.531 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 24636

Band structure with spin-orbit coupling