• Formula : K2AgP
  • Space Group : Cmcm (63)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.813
    b = 7.694
    c = 5.964
    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 = 1.1954 eV
    Direct Gap = 1.279 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of dipotassium catena-phosphidoargentate(I): K2 (Ag P),
    Zeitschrift fuer Kristallographie - New Crystal Structures 212, 78 (1997)

Band structure with spin-orbit coupling