Abstract
A materials database that includes more than 2,500 solids with thermo-chemical and physical properties has been constructed to study the effect of chemical composition, structure, and constituent element properties on the solids. The correlation between compound entropy and the sum of constituent element entropy is clearly established and even better linear relations are possible when the solids are separated according to their crystal structure or compositional types such as carbide or oxide. A number of hydrides have been examined with this approach and many more studies involving other classes of compounds are possible.
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Hrubiak, R., George, L., Saxena, S.K. et al. A materials database for exploring material properties. JOM 61, 59–62 (2009). https://doi.org/10.1007/s11837-009-0011-0
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DOI: https://doi.org/10.1007/s11837-009-0011-0