• Formula : MgNi2
  • Space Group : P6_3/mmc (194)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.824
    b = 4.824
    c = 15.826
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 24
    Total number of electrons per primitive cell = 240
  • Band gap = 0.0 eV
    Direct Gap = 0.005 eV
    Metallicity = 0.765
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structural studies of stacking variants in Mg-base Friauf- Laves phases,
    Acta Crystallographica B (24,1968-38,1982) 36, 1548 (1980)

Band structure with spin-orbit coupling