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

doi:10.1016/j.commatsci.2021.110450

The AFLOW Library of Crystallographic Prototypes: Part 3

Materials Science 2021-07-23 v1

Authors: 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.

Keywords

crystallographic prototypes AFLOW library Strukturbericht inorganic crystal structures crystal structure database

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@article{arxiv.2012.05961,
  title  = {The AFLOW Library of Crystallographic Prototypes: Part 3},
  author = {David Hicks and Michael J. Mehl and Marco Esters and Corey Oses and Ohad Levy and Gus L. W. Hart and Cormac Toher and Stefano Curtarolo},
  journal= {arXiv preprint arXiv:2012.05961},
  year   = {2021}
}

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1885 pages, 1020 figures, volume 3 encyclopedia

The AFLOW Library of Crystallographic Prototypes: Part 3

Abstract

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