Figure 3.
Diagrams for finding stable compounds. The convex hull diagram denotes the relative energy (shown as a color map) of a composition with respect to the lowest energy boundary of other phases or linear combinations of those phases. The chemical potential diagram looks at the same phase stability by tuning the chemical potential of the constituent elements, indicating the relative stability of a phase at a certain chemical environment. Both the convex hull and chemical potential diagram are generated for CsPbBr3 using the Materials Project phase diagram tool. The Pourbaix diagram is a way to identify stable nanostructures in an aqueous environment as the pH and voltage vary (example generated using the Pourbaix diagram app on Materials Project for Zr).