Custom python function for the structure of 2D Ti2C decorated with Alkali metals:

This code generates adsorption structures for an input CIF file using the AdsorbateSiteFinder module in pymatgen python library. It takes in the CIF file, adsorbate species, initial and final adsorbate coordinates as inputs. The code then loads the CIF file into a Structure object and creates Molecule objects for the adsorbates. The AdsorbateSiteFinder object is used to find suitable adsorption sites and generate adsorption structures for the adsorbate molecules. Finally, the code writes each adsorption structure to a CIF file.