• Formula : Mg3Sn
  • Space Group : P-3 (147)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 13.245
    b = 13.245
    c = 4.45
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 88
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.627
    Topological Z2 indices ν = (1;001)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Growth of crystals, composite crystal structures and electrical resistance of high-pressure phases of Mg2 B1+x (B=Sn, Ge),
    Journal of Alloys Compd. 278, 29 (1998)

Band structure with spin-orbit coupling