From polyhedra to crystals: a graph-theoretic framework for crystal structure generation

CrystEngComm 2026 Open access

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Authors: Tomoyasu Yokoyama, K. Ichikawa, Hisashi Naito
DOI: 10.1039/d5ce01176k
Cited by: 1
References: 38

Abstract

Crystal structure generation via polyhedral tiling: we encode space-filling polyhedra as a dual periodic graph and generate crystal structures through the standard realization of this graph.

Fields of Study & Subjects

Optics and Image Analysis

Publication details

Journal / source
CrystEngComm
Publisher
Royal Society of Chemistry (RSC)
Volume
28
Issue
15
Pages
2293–2304
Publication date
1 January 2026
Language
EN