• Formula : Sn(CO2)2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 10.375
    b = 5.504
    c = 8.234
    α = 90.0
    β = 125.11
    γ = 90.0
  • Number of atoms per primitive cell = 14
    Total number of electrons per primitive cell = 92
  • Band gap = 2.598 eV
    Direct Gap = 2.613 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • scf.in - scf.out - bands.in - bands.out
  • Reference: ICSD Collection Code: 150101

Band structure with spin-orbit coupling