Categorization of inorganic crystal structures by Delaunay tetrahedralization

Crystal structure prediction is demanding in two senses: this is a difficult problem, both experimentally and computationally, yet we want to find new materials with new properties that take unknown crystal structures. Using statistical information on the local environment of already reported stable...

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Bibliographic Details
Main Authors: Yoyo Hinuma, Yukari Katsura
Format: Article
Language:English
Published: Taylor & Francis Group 2022-12-01
Series:Science and Technology of Advanced Materials: Methods
Subjects:
Online Access:http://dx.doi.org/10.1080/27660400.2022.2059336