• Formula : Sr
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 4.28
    b = 4.28
    c = 7.05
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 20
  • Band gap = 0.0 eV
    Direct Gap = 0.009 eV
    Metallicity = 0.365
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The barium-strontium equilibrium system Locality: synthetic Sample: at T = 225 C note: known as gamma-strontium,
    Journal of Physical Chemistry 60, 302 (1956)

Band structure with spin-orbit coupling