Rapid screening of high-throughput ground state predictions

High-through computational thermodynamic approaches are becoming an increasingly popular tool to uncover novel compounds. However, traditional methods tend be limited stability predictions of stoichiometric phases at absolute zero. Such thus carry the risk identifying excess possible that do not survive temperatures practical relevance. We demonstrate how Calphad formalism, informed by simple first-principles input can simply used overcome this problem a low cost and deliver quantitatively useful phase diagram all temperatures. illustrate method re-assessing prior compound formation reconcile these findings with long-standing experimental evidence contrary.