• Formula : Be
  • Space Group : P2_12_12 (18)
    Centrosymmetric : False
    Dimensionality : 1D
  • Structure parameters
    a = 2.168
    b = 3.755
    c = 3.416
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 4
    Total number of electrons per primitive cell = 16
  • Band gap = 0.0 eV
    Direct Gap = 0.006 eV
    Metallicity = 0.146
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    On the high-pressure phase transition in beryllium metal Locality: synthetic Sample: at P = 28.3 GPa Note: phase II,
    Journal of Physics F: Metal Physics 14, L65 (1984)

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes