Modeling of lattice parameters of cubic perovskite oxides and halides

• Published in: Heliyon Vol. 7; no. 7; p. e07601
• Main Authors: Zhang, Yun, Xu, Xiaojie
• Format: Journal Article
• Language: English
• Published: England Elsevier Ltd 01.07.2021; Elsevier
• Subjects: cations; Crystal structure; Halide; Machine learning; magnetism; normal distribution; Oxide; Perovskite; Oxide; Perovskite; Halide; Machine learning; Crystal structure

Perovskites having the chemical formulae of ABX3 are promising candidates for various electronic, magnetic, and thermal applications. One of the important structural factors is a (the lattice constant), which represents the unit cell size. The variation in the lattice constant is a combined result o...