• Formula : Sr3(GeN)2
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.032
    b = 3.883
    c = 9.648
    α = 90.0
    β = 112.42
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 96
  • Band gap = 0.0 eV
    Direct Gap = 0.026 eV
    Metallicity = 0.958
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis and structure of two new strontium germanium nitrides: Sr3 Ge2 N2 and Sr2 Ge N2,
    Inorganic Chemistry 35, 7009 (1996)

Band structure with spin-orbit coupling