• Formula : FeAg2SnS4
  • Space Group : I-42m (121)
    Centrosymmetric : False
    Dimensionality : 3D
  • Structure parameters
    a = 5.74
    b = 5.74
    c = 10.96
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 8
    Total number of electrons per primitive cell = 68
  • Band gap = 0.0 eV
    Direct Gap = 0.010 eV
    Metallicity = 0.290
    Topological Z2 indices ν = (1;111)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    La hocartite, Ag2 Sn Fe S4, une nouvelle espece minerale,
    Bulletin de la Societe Francaise de Mineralogie et de Cristallographie (72,1949-100,1977) 91, 383 (1968)

Band structure with spin-orbit coupling

Wannier charge center (WCC) at six time-reversal invariant planes