AFLOW-XtalFinder: a reliable choice to identify crystalline prototypes

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 following the...

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Veröffentlicht in:	npj computational materials 2021-02, Vol.7 (1), Article 30
Hauptverfasser:	Hicks, David, Toher, Cormac, Ford, Denise C., Rose, Frisco, Santo, Carlo De, Levy, Ohad, Mehl, Michael J., Curtarolo, Stefano
Format:	Artikel
Sprache:	eng
Schlagworte:	639/301/1034/1037 639/301/930/12 Characterization and Evaluation of Materials Chemistry and Materials Science Computational Intelligence Crystallography Encyclopedias Growth rate Materials Science Mathematical and Computational Engineering Mathematical and Computational Physics Mathematical Modeling and Industrial Mathematics Prototypes Repositories Source code Theoretical
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