Study on the Automatic Identification of ABX3 Perovskite Crystal Structure Based on the Bond-Valence Vector Sum

Study on the Automatic Identification of ABX3 Perovskite Crystal Structure Based on the Bond-Valence Vector Sum

Perovskite materials have a variety of crystal structures, and the properties of crystalline materials are greatly influenced by geometric information such as the space group, crystal system, and lattice constant. It used to be mostly obtained using calculations based on density functional theory (D...

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Bibliographic Details
Main Authors: Laisheng Zhang, Zhong Zhuang, Qianfeng Fang, Xianping Wang
Format: Article
Language:English
Published: MDPI AG 2022-12-01
Series:Materials
Subjects:
space group
crystal system
lattice constant
feature descriptor
the bond-valence vector sum
machine learning
Online Access:https://www.mdpi.com/1996-1944/16/1/334

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https://www.mdpi.com/1996-1944/16/1/334

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