Fig. 3. Performance of constant heuristic limits in capturing synthesized metastable materials (“sensitivity”) and excluding the “unsynthesizable ranges.”.
The sensitivity is defined as the percentage of known synthesized materials in a system that are within a given constant heuristic energy limit from the ground state. Sensitivities of heuristic limits for individual systems are also plotted in the background (thin lines) as a guide for the eye. The unsynthesizable range is defined for a system when a heuristic limit is greater than its amorphous limit, as the excess energy range between these two limits, averaged over these systems at each heuristic limit value.