• Formula : Sr
  • Space Group : I4_1/amd (141)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 5.62
    b = 5.72
    c = 3.05
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 2
    Total number of electrons per primitive cell = 20
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.174
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural study on the high-pressure phase strontium III Locality: synthetic Sample: at P = 31.3 GPa,
    Physical Review B - Condensed Matter 53, 2151 (1996)

Band structure with spin-orbit coupling