• Formula : NiCO3
  • Space Group : R-3c (167)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.6117
    b = 4.6117
    c = 14.735
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 64
  • Band gap = 0.0 eV
    Direct Gap = 0.009 eV
    Metallicity = 0.110
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Structures of hydrothermally synthesized cobalt(II) carbonate and nickel(II) carbonate Locality: synthetic,
    Acta Crystallographica, Section C 42, 4 (1986)

Band structure with spin-orbit coupling