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
TL;DR
This paper presents an expanded AFLOW library that now includes 1,100 crystallographic prototypes, integrating historical Strukturbericht designations and providing a comprehensive index for inorganic crystal structures.
Contribution
The paper introduces a significant extension of the AFLOW library with 510 new prototypes and the first comprehensive index of inorganic Strukturbericht designations.
Findings
Inclusion of 510 new prototypes from Part 3.
Complete index of inorganic Strukturbericht designations.
Historical overview of the Strukturbericht system.
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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