away from unity. Consistent with this picture, we observe several compounds without lone pairs that nonetheless exhibit strong octahedral tilting. Finally, using machine-learned interatomic potentials, we connect the 0 K tilting energetics to finite-temperature behavior: compounds with more strongly stabilized tilt phases exhibit higher transition temperatures, and phonon spectra at 350 K reveal soft and broad modes that are consistent with the trends in tolerance factors, tilt angles, and tilt energies at 0 K. Our results provide a systematic reference for structure-stability relationships in HDPs and clarify that lone-pair chemistry is correlated with, rather than the primary cause of, octahedral tilting.
No takes yet. Share an insight, caveat, or question.
Başkurt et al. (2026) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: