ChemEnv : a fast and robust coordination environment identification tool

Summary

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Authors: David Waroquiers, Janine George, Matthew Horton, Stephan Schenk, Kristin A. Persson, Gian-Marco Rignanese, Xavier Gonze, Geoffroy Hautier

Journal title: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials

Journal number: 76/4

Journal publisher: John Wiley and Sons Inc.

Published year: 2020

Published pages: 683-695

DOI identifier: 10.1107/s2052520620007994

ISSN: 2052-5206