• Formula : AgP2
  • Space Group : P2_1/c (14)
    Centrosymmetric : True
    Dimensionality : 2D
  • Structure parameters
    a = 6.2167
    b = 5.0587
    c = 7.8059
    α = 90.0
    β = 113.48
    γ = 90.0
  • Number of atoms per primitive cell = 12
    Total number of electrons per primitive cell = 84
  • Band gap = 0.6145 eV
    Direct Gap = 0.626 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Darstellung,Eigenschaften und Kristallstruktur von Cu2 P7 und Strukturverfeinerungen von Cu P2 und Ag P2,
    Zeitschrift fuer Anorganische und Allgemeine Chemie 491, 225 (1982)

Band structure with spin-orbit coupling