TY - RPRT TI - A First–Principles–Based Sub–Lattice Formalism for Predicting Off–Stoichiometry in Materials for Solar Thermochemical Applications: The Example of Ceria AU - Gautam, Gopalakrishnan Sai AU - Stechel, Ellen B. AU - Carter, Emily A. PY - 2020 DO - 10.1002/adts.202000112 UR - https://www.osti.gov/biblio/1808710 ID - 1808710 ER -