Scientists have long sought a system for predicting the properties of materials based on their chemical composition. In particular, they set sights on the concept of a chemical space that places materials in a reference frame such that neighboring chemical elements and compounds plotted along its axes have similar properties. This idea was first proposed in 1984 by the British physicist, David G. Pettifor, who assigned a Mendeleev number (MN) to each element. Yet the meaning and origin of MNs were unclear. Scientists from the Skolkovo Institute of Science and Technology (Skoltech) puzzled out the physical meaning of the mysterious MNs and suggested calculating them based on the fundamental properties of atoms. They showed that both MNs and the chemical space built around them were more effective than empirical solutions proposed until then. Their research supported by a grant from the Russian Science Foundation's (RSF) World-class Lab Research Presidential Program was presented in The Journal of Physical Chemistry C.