Here are the descriptions of the AiiDA archive files:

• reaction_cp2k.aiida: Contains data calculated with CP2K for the Pt nanoparticles supported on a CeO₂ (111) surface.

• xps_qe.aiida: Includes data from Quantum ESPRESSO calculations of XPS binding energies for Pt surfaces and Pt nanoparticles, both with and without adsorbed CO.