• Formula : Ba2GaGeN
  • Space Group : P2_1/m (11)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 7.249
    b = 4.21
    c = 9.314
    α = 90.0
    β = 108.87
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 84
  • Band gap = 0.0 eV
    Direct Gap = 0.214 eV
    Metallicity = 0.062
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthesis and structure of the subnitrides Ba2 Ge Ga N and (Bax Sr1-x)3 Ge2 N2 ; x = 0.7,
    Journal of Alloys Compd. 259, 158 (1997)

Band structure with spin-orbit coupling