• Formula : CsSrN9
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.174
    b = 10.173
    c = 9.008
    α = 90.0
    β = 120.15
    γ = 90.0
  • Number of atoms per primitive cell = 22
    Total number of electrons per primitive cell = 128
  • Band gap = 3.8586 eV
    Direct Gap = 3.952 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Die Kristallstruktur des Cs Sr (N3)3,
    Zeitschrift fuer Kristallographie (149,1979-) 155, 201 (1981)

Band structure with spin-orbit coupling