• Formula : CuAgSe
  • Space Group : Pmmn (59)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 4.105
    b = 4.07
    c = 6.31
    α = 90.0
    β = 90.0
    γ = 90.0
  • Number of atoms per primitive cell = 6
    Total number of electrons per primitive cell = 56
  • Band gap = 0.0 eV
    Direct Gap = 0.058 eV
    Metallicity = 0.080
    Topological Z2 indices ν = (1;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    The crystallography of eucairite, CuAgSe Locality: Skrikerum, Sweden Sample: orthorhombic subcell,
    Zeitschrift fur Kristallographie 108, 389 (1957)

Band structure with spin-orbit coupling