Поиск новых твердотельных электролитов в системе NaBr–LaBr3 с помощью теории функционала плотности

<jats:p>The development of highly efficient materials for solid-state batteries is one of the key tasks in modern materials science. In this work, a systematic search for stable structural modifications in the NaBr–LaBr3 system was performed using first-principles calculations within the framework of density functional theory (DFT) and machine-learned interatomic potentials.</jats:p>