ChemEnv: a fast and robust coordination environment identification tool

Waroquiers, D.; George, J.; Horton, M.; Schenk, S.; Persson, K.A.; Rignanese, G.-M.; Gonze, X.; Hautier, G.

doi:10.1107/S2052520620007994

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

IUCr IT WDC

home archive editors for authors for readers submit subscribe open access

view article

Figure 7
Illustration of the separation plane algorithm. (a) Model and local (distorted) structure, (b) first trial for separation plane algorithm and (c) second trial for separation plane algorithm.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 76| Part 4| August 2020| Pages 683-695

https://doi.org/10.1107/S2052520620007994

Open

access

Follow Acta Cryst. B

Search IUCr Journals		doi		Advanced search
Author		volume	page