• Formula : CaSn(BO3)2
  • Space Group : R-3 (148)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.858
    b = 4.858
    c = 16.08
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 66
  • Band gap = 4.1999 eV
    Direct Gap = 4.540 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The detailed crystal structure of nordenskioeldine, CaSn(BO3)2 Locality: Stiepelman mine, SW Africa,
    Neues Jahrbuch fur Mineralogie, Monatshefte 1986, 111 (1986)

Band structure with spin-orbit coupling