2026-10-12T18:51:18Z https://www.scidb.cn/oai

10.57760/sciencedb.j00213.00073 2024-12-11T14:38:40Z

2024-12-11 Key factors of spontaneous polarization magnitude in wurtzite materials doi:10.57760/sciencedb.j00213.00073 en Using first principles methods, the spontaneous polarization magnitude of 40 binary and 89 simple ternary wurtzite materials were calculated, and 505 features were extracted from their elemental properties, crystal structure parameters, and electronic properties. The feature names have been marked in the document, and specific explanations can be found in the paper "Key factors of spontaneous polarization magnitude in wurtzite materials" Wurtzite ferroelectric materials; Spontaneous polarization magnitude; Machine learning; first principles methods Yao Kang Jian Chen Yi Tong Xinpeng Wang Kun Duan Jiaqi Wang Xudong Wang Dayu Zhou Man Yao PUBLIC https://creativecommons.org/licenses/by-nc-nd/4.0/ dataset http://www.doi.org/10.7498/aps.74.20241520 Science Data Bank