• Formula : Be
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.3571
    b = 4.3571
    c = 3.402
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 8
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.353
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Isothermal compression and phase transition in beryllium to 28.3 GPa Locality: synthetic Sample: at P = 25.5 GPa Note: BeII phase, slightly distorded HCP,
    Journal of Physics F: Metal Physics 14, 1 (1984)

Band structure with spin-orbit coupling