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The AFLOW Library of Crystallographic Prototypes: Part 3

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arxiv 2012.05961 v1 pith:4AKARHTH submitted 2020-12-10 cond-mat.mtrl-sci

David Hicks , Michael J. Mehl , Marco Esters , Corey Oses , Ohad Levy , Gus L. W. Hart , Cormac Toher , Stefano Curtarolo This is my paper
classification cond-mat.mtrl-sci
keywords prototypesstrukturberichtaflowcrystalcrystallographicinorganiclibrarypart
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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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