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Organizing a chemical space so that elements with similar properties wouldtake neighboring places in a sequence can help to predict new materials. Inthis paper, we propose a universal method of generating such a one-dimensionalsequence of elements, i.e. at arbitrary pressure, which could be used to createa well-structured chemical space of materials and facilitate the prediction ofnew materials. This work clarifies the physical meaning of Mendeleev numbers,which was earlier tabulated by Pettifor. We compare our proposed sequence ofelements with alternative sequences formed by different Mendeleev numbers usingthe data for hardness, magnetization, enthalpy of formation, and atomizationenergy. For an unbiased evaluation of the MNs, we compare clustering ratesobtained with each system of MNs.

Nonempirical definition of the Mendeleev numbers: Organizing the chemical space