• Formula : Sr(SnAs)2
  • Space Group : R-3m (166)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 4.204
    b = 4.204
    c = 26.726
    α = 90.0
    β = 90.0
    γ = 120.0
  • Number of atoms per primitive cell = 5
    Total number of electrons per primitive cell = 48
  • Band gap = 0.0 eV
    Direct Gap = 0.091 eV
    Metallicity = 0.028
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Arsenidostannate mit Arsen-analogen (Sn As) - Schichten: Darstellung und Struktur von Na (Sn2 As2), Na0.3 Ca0.7 (Sn2 As2), Na0.4 Sr0.6 (Sn2 As2), Na0.6 Ba0.4 (Sn2 As2) und K0.3 Sr0.7 (Sn2 As2),
    Zeitschrift fuer Anorganische und Allgemeine Chemie 621, 576 (1995)

Band structure with spin-orbit coupling