First-principles prediction of structural, mechanical and thermal properties of perovskite BaZrS3 Ping Zhang, Baishu Chen, Wenxia Zhu, Chang Wang, Wei Zhang, Yuanzuo Li and Weilong Liu Eur. Phys. J. B, 93 6 (2020) 97 Published online: 01 June 2020 DOI: 10.1140/epjb/e2020-10082-9