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The AFLOW Library of Crystallographic Prototypes: Part 3

Published 10 Dec 2020 in cond-mat.mtrl-sci | (2012.05961v1)

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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