Atomic coordinates of dft-optimized pt structures with o, n, and nhx species in surface or interstitial locations

TechnicalRemarks: An archive with xyz-coordinates of atoms in 4-layer Pt(100) slabs and species present in their surface or interstitial locations under conditions of ammonia oxidation over Pt-based catalysts. The species enclosed are O, N, and NHx. The atomic coordinates of these structures were optimized by DFT and are available in txt format.