• Formula : MnSiN2
  • Space Group : Pna2_1 (33)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.248
    b = 6.511
    c = 5.07
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 116
  • Band gap = 0.0 eV
    Direct Gap = 0.001 eV
    Metallicity = 0.438
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Etude cristallographique et magnetique de Mn Si N2 par diffraction des neutrons,
    Solid State Communications 21, 733 (1977)

Band structure with spin-orbit coupling