%0 Journal Article
%A Hegde, Vinay I.
%A Aykol, Muratahan
%A Kirklin, Scott
%A Wolverton, Chris
%T The phase stability network of all inorganic materials
%D 2020
%R 10.1126/sciadv.aay5606
%J Science Advances
%P eaay5606
%V 6
%N 9
%X One of the holy grails of materials science, unlocking structure-property relationships, has largely been pursued via bottom-up investigations of how the arrangement of atoms and interatomic bonding in a material determine its macroscopic behavior. Here, we consider a complementary approach, a top-down study of the organizational structure of networks of materials, based on the interaction between materials themselves. We unravel the complete “phase stability network of all inorganic materials” as a densely connected complex network of 21,000 thermodynamically stable compounds (nodes) interlinked by 41 million tie line (edges) defining their two-phase equilibria, as computed by high-throughput density functional theory. Analyzing the topology of this network of materials has the potential to uncover previously unidentified characteristics inaccessible from traditional atoms-to-materials paradigms. Using the connectivity of nodes in the phase stability network, we derive a rational, data-driven metric for material reactivity, the “nobility index,” and quantitatively identify the noblest materials in nature.
%U https://advances.sciencemag.org/content/advances/6/9/eaay5606.full.pdf