• Formula : YSnF7
  • Space Group : P2_1 (4)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.954
    b = 5.5646
    c = 8.057
    α = 90.0
    β = 103.32
    γ = 90.0
  • Number of atoms per primitive cell = 18
    Total number of electrons per primitive cell = 148
  • Band gap = 5.2529 eV
    Direct Gap = 5.253 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Two new compounds of the SmZrF7-type: EuSnF7 and YSnF7,
    European Journal of Solid State and Inorganic Chemistry 29, 659 (1992)

Band structure with spin-orbit coupling