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arXiv · 2012.05961

The AFLOW Library of Crystallographic Prototypes: Part 3

David Hicks·Michael J. Mehl·Marco Esters·Corey Oses·Ohad Levy·Gus L. W. Hart·Cormac Toher·Stefano Curtarolo
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Abstract

The AFLOW Library of Crystallographic Prototypes has been extended to include a total of 1,100 common crystal structural prototypes (510 new ones with Part 3), comprising all of the inorganic crystal structures defined in the seven-volume Strukturbericht series published in Germany from 1937 through 1943. We cover a history of the Strukturbericht designation system, the evolution of the system over time, and the first comprehensive index of inorganic Strukturbericht designations ever published.

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David Hicks, Michael J. Mehl, Marco Esters, Corey Oses, Ohad Levy, Gus L. W. Hart, Cormac Toher, Stefano Curtarolo. 2020-12-10. The AFLOW Library of Crystallographic Prototypes: Part 3. https://doi.org/10.1016/j.commatsci.2021.110450

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