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.

搜集汇总

背景与挑战

背景概述

该数据集提供了基于第一性原理计算和分子动力学模拟的新型二维铁电介质材料（LiBiO2、LiSbO2、NaSbO2）的测试原始数据，涵盖晶体结构、声子谱、电极化强度、转变势垒和居里温度等关键信息。数据以图片、文本和PDF文件形式存储，共22个文件，数据量约11.5MB。