• Formula : CaMg(CO3)2
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.8064
    b = 4.8064
    c = 16.006
    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 = 5.1156 eV
    Direct Gap = 5.545 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    High-pressure structural study of dolomite and ankerite P = 0.00 GPa,
    American Mineralogist 77, 412 (1992)

Band structure with spin-orbit coupling