“…A common approach to evaluating Gibbs free energy with continually improving DFT approximations [60,61,62,63,64,65,66] is to determine the enthalpy at T = 0 K and then include the temperature-dependent vibrational/configurational entropy terms for viable candidates. Explorations of configurational spaces can be done with a variety of advanced structure prediction methods introduced in the past two decades [7,8,67,68,69,70,71,72,73,74,75,76,77,78,79]. The search strategy employed in our predictive work has involved (i) high-throughput (HT) screening of known relevant prototypes to establish a baseline for compound stability; (ii) unconstrained evolutionary search (ES) to identify new stable motifs; and (iii) stability analysis to explain or improve the stability of identified materials.…”