• Formula : CaGaN
  • Space Group : P4/nmm (129)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 3.57
    b = 3.57
    c = 7.558
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 56
  • Band gap = 0.0 eV
    Direct Gap = 0.003 eV
    Metallicity = 0.529
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Etude structurale de Ca Ga N,
    Acta Crystallographica B (24,1968-38,1982) 30, 226 (1974)

Band structure with spin-orbit coupling