• Formula : SrH2
  • Space Group : Imma (74)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 6.364
    b = 7.343
    c = 3.875
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 24
  • Band gap = 0.1164 eV
    Direct Gap = 0.543 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Konstitution der Erdalkalihydride,
    Zeitschrift fuer Elektrochemie 41, 33 (1935)

Band structure with spin-orbit coupling