• Formula : Mg2Ni
  • Space Group : P6_222 (180)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.205
    b = 5.205
    c = 13.236
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 180
  • Band gap = 0.0 eV
    Direct Gap = 0.000 eV
    Metallicity = 0.686
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Etude structurale du systeme Mg~2~ Ni - H~2~. I - La solution solide Mg~2~ Ni H~x~ (x=0.30),
    Materials Research Bulletin 19, 895 (1984)

Band structure with spin-orbit coupling