• Formula : AgSbS2
  • Space Group : C2/c (15)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 12.862
    b = 4.409
    c = 13.218
    α = 90.0
    β = 98.48
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 112
  • Band gap = 1.2255 eV
    Direct Gap = 1.398 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The new mineral baumstarkite and a structural reinvestigation of aramayoite and miargyrite,
    American Mineralogist 87, 753 (2002)

Band structure with spin-orbit coupling