The Flexible Unit Structure Engine (FUSE) for probe structure-based composition prediction.
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DOI: 10.1039/c8fd00045j
Abstract: Computationally led materials discovery requires efficient methods to generate either exact or approximate crystal structures that span the composition range of a chosen phase space. Here we present a new tool, the Flexible Unit Structure… read more here.
Keywords: structure engine; unit structure; composition; structure ... See more keywords