Discovery of a new crystal structure of LiBeF3 and its thermodynamic and optical properties
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DOI: 10.1016/j.commatsci.2019.109077
Abstract: Abstract This article reports a newly discovered crystal structure of LiBeF3 from approximately 700 candidate structures by means of high-throughput DFT (Density Functional Theory) screening. The lowest-energy structure is monoclinic with the P2/c symmetry and… read more here.
Keywords: libef3 thermodynamic; structure; crystal structure; structure libef3 ... See more keywords