• Formula : Mn3ZnN
  • Space Group : Pm-3m (221)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 3.902
    b = 3.902
    c = 3.902
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 62
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.450
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Diffraction neutronique de Mn3 Zn N,
    Journal de Physique (Paris), Colloque. 32, 876 (1971)

Band structure with spin-orbit coupling