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arxiv: 1607.02532 · v2 · pith:JE7W7FIZnew · submitted 2016-07-08 · ❄️ cond-mat.mtrl-sci

The AFLOW Library of Crystallographic Prototypes

classification ❄️ cond-mat.mtrl-sci
keywords crystalstructuresincludingaflowavailabledesignationsgroupspage
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An easily available resource of common crystal structures is essential for researchers, teachers, and students. For many years this was provided by the U.S. Naval Research Laboratory's $Crystal\ Lattice\ Structures$ web page, which contained nearly 300 crystal structures, including a majority of those which were given $Strukturbericht$ designations. This article presents the updated version of the database, now including 288 standardized structures in 92 space groups. Similar to what was available on the web page before, we present a complete description of each structure, including the formulas for the primitive vectors, all of the basis vectors, and the AFLOW commands to generate the standardied cells. We also present a brief discussion of crystal systems, space groups, primitive and conventional lattices, Wyckoff positions, Pearson symbols and $Strukturbericht$ designations.

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