Furthermore, in these compounds, the magnetic behavior of intercalated atoms can be highly dependent not only on their concentration, but also on their position. In particular, we highlight that some TM atoms have reduced unpaired electron density depending on their position. For example, for Cr intercalation, the αβ (unpaired) electron population is larger for Cr atoms intercalated at the centroid of boroxine or triazine rings, compared to those intercalated at the centroid of benzene rings, with the exception of Cr-02 where magnetic moments are reduced in triazine rings. In the Ni-04 and Ni-05 configurations, MPA indicates reduced spin density for Ni atoms intercalated in boroxine and triazine rings, compared to benzene rings. Sc-02 and Sc-04 have a reduced number of unpaired electrons for atoms intercalated at the centroid of triazine rings, and Sc-03 has a very small amount of unpaired electron density for all Sc atoms. Finally, for Ti intercalation, the only atoms that show open-shell configurations are those intercalated at the centroid of boroxine rings. It is important to note that, even though MPA gives a good indication of the type of magnetic configuration (FM, FiM, AFM, NM) for the intercalated TM atoms, it is known to yield inaccurate results for the number of unpaired electrons due to an overestimation of bonds' covalent character. Therefore, we use this tool to qualitatively find if atoms have closed-shell/open-shell character and if they present smaller or larger unpaired electron density relative to other atoms in the structure. Magnetic moment calculations would be necessary to numerically determine the atoms' spin.