新型二维铁电介质材料测试原始数据

基于第一性原理计算所提出的新型铁电介质材料的晶体结构、转变势垒和居里温度的数据。数据说明文件为新型二维铁电介质材料测试数据说明.docx，“2018YFB2202802-003-新型二维铁电介质材料测试原始数据” 文件夹包含的数据内容为新型二维铁电介质材料LiBiO2、LiSbO2和NaSbO2的晶体结构、声子谱、电极化强度、转变势垒和居里温度的分子动力学模拟结果，内含图表合集、支撑数据两个文件夹。命名格式为：2018YFB2202802-003-新型二维铁电介质材料测试原始数据-图表合集、2018YFB2202802-003-新型二维铁电介质材料测试原始数据-支撑数据、2018YFB2202802-003-新型二维铁电介质材料测试原始数据-专利，内含5张图片、11个.txt数据文件、4个pdf文件。

This dataset contains data on the crystal structures, transition barriers, and Curie temperatures of novel ferroelectric dielectric materials proposed via first-principles calculations. The data documentation is provided in the file "Test Data Description for Novel Two-Dimensional Ferroelectric Dielectric Materials.docx". The folder named "2018YFB2202802-003-Raw Test Data for Novel Two-Dimensional Ferroelectric Dielectric Materials" holds molecular dynamics simulation results for the crystal structures, phonon spectra, electric polarization intensities, transition barriers, and Curie temperatures of three novel two-dimensional ferroelectric dielectric materials: LiBiO2, LiSbO2, and NaSbO2. This folder includes three subdirectories: Chart Collection, Supporting Data, and Patent, following the naming convention: 2018YFB2202802-003-Raw Test Data for Novel Two-Dimensional Ferroelectric Dielectric Materials-Chart Collection, 2018YFB2202802-003-Raw Test Data for Novel Two-Dimensional Ferroelectric Dielectric Materials-Supporting Data, and 2018YFB2202802-003-Raw Test Data for Novel Two-Dimensional Ferroelectric Dielectric Materials-Patent. In total, this dataset package includes 5 image files, 11 .txt data files, and 4 PDF files.