• Formula : Ni3Se2
  • Space Group : R32 (155)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 4.2375
    b = 4.2375
    c = 4.2375
    α = 90.42
    β = 90.42
    γ = 90.42
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 42
  • Band gap = 0.0 eV
    Direct Gap = 0.002 eV
    Metallicity = 0.603
    Topological Z2 indices ν = ?
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Untersuchungen im system nickel-selen,
    Neues Jahrbuch fur Mineralogie, Abhandlungen 94, 1147 (1960)

Band structure with spin-orbit coupling