Principal component analysis on properties of binary and ternary hydrides and a comparison of metal versus metal hydride properties

摘要

Principal component analysis (PCA) is used to investigate interrelationship among material properties of hydrides. Property data which consist of ~200 compounds (binary and ternary metal hydrides) were analyzed. A comparative study was carried out among the metal properties with that of their hydrides. The observed decrease or increase of entropy, molar volume and specific heat of hydrides from that of the metals can be attributed to hydrogen bond formation, charge transfer and corresponding change in crystal structure.