AFLOW-XtalFinder: a reliable choice to identify crystalline prototype

Abstract The accelerated growth rate of repository entries in crystallographic databases makes it arduous to identify and classify their prototype structures. The open-source AFLOW-XtalFinder package was developed to solve this problem. It symbolically maps structures into standard designations foll...

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Auteurs principaux: David Hicks, Cormac Toher, Denise C. Ford, Frisco Rose, Carlo De Santo, Ohad Levy, Michael J. Mehl, Stefano Curtarolo
Format: article
Langue:EN
Publié: Nature Portfolio 2021
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Accès en ligne:https://doaj.org/article/d8001da29b72409fb3015c4384d78227
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