DFT data associated with Set of Small Ordered Structures (SSOS) paper by Kuner, Rothchild, Asta, and Chrzan (2024). https://doi.org/10.1016/j.commatsci.2024.112924

Abstract

This repository contains a summary of all DFT data used in the paper (https://doi.org/10.1016/j.commatsci.2024.112924), including input parameters, significant outputs, etc.</p