• Formula : Be
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 2.2995
    b = 2.2995
    c = 3.6009
    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 = 0.153
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    A high temperature precision X-ray camera: some measurements of the thermal coefficients of expansion of beryllium Locality: synthetic Sample: at T = 385 C,
    Journal of Applied Physics 20, 908 (1949)

Band structure with spin-orbit coupling