用极限学习机预测复立方钙钛矿A2BCO6的晶格常数

Bouzateur Inas, Bennacer Hamza, Ouali Mohamed Assam, Ladjal Mohamed, Ziane Mohamed Issam, Hadjab Moufdi
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引用次数: 0

摘要

双钙钛矿氧化物由于其独特和适应性强的材料特性在过去十年中受到了广泛的关注。在立方结构的六个参数中,晶格常数是唯一可改变的参数,它在开发特定技术应用的材料中起着重要作用,并能清晰地识别材料的晶体结构。本文利用极限学习机(ELM)来关联$A_2^{+ 2}BC{O_6}$立方钙钛矿化合物的晶格常数,如离子半径、电负性、氧化态和晶格常数。我们研究了147种晶格常数在7.700 ~ 8.890Å之间的化合物。该预测方法具有较高的精度和稳定性,并能准确估计晶格常数。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Lattice Constant Prediction of Complex Cubic Peroveskite A2BCO6 using Extreme Learning Machine
Double perovskite oxides have received a lot of interest in the last ten years because of their distinctive and adaptable material properties. Among the six parameters in the cubic structure, the lattice constant is the sole changeable parameter, which plays an important role in developing materials for particular technological applications and distinctively identifies the crystal structure of the material. In this paper, the extreme learning machine (ELM) is used to correlate the lattice constant of $A_2^{ + 2}BC{O_6}$ cubic perovskite compounds, such as their ionic radii, electronegativity, oxidation state, and lattice constant. We investigated 147 compounds with lattice constants between 7.700 and 8.890Å. The prediction method has a high level of accuracy and stability and provides accurate estimates of lattice constants.
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