• Formula : Mn3Sn
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 5.67
    b = 5.67
    c = 4.53
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 118
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.879
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Study of the manganese-rich end of the Mn-Sn sytem,
    Transactions of the Metallurgical Society of Aime 242, 1661 (1968)

Band structure with spin-orbit coupling