• Formula : BeP2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.09
    b = 7.09
    c = 7.92
    α = 102.94
    β = 77.05
    γ = 90.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 112
  • Band gap = 0.8233 eV
    Direct Gap = 0.895 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 2262

Band structure with spin-orbit coupling