JARVIS-DFT 2D dataset (jdft_2d.json)

Dataset for 2D materials Websites: 1) https://jarvis.nist.gov/jarvisdft ,<br> 2) https://jarvis-tools.readthedocs.io/en/master/databases.html , 3) https://jarvis-tools.readthedocs.io/en/master/publications.html <br> Loading the dataset: <br> unzip d2-12-12-2022.json.zip <br> import os, json import pandas as pd f = open('d2-12-12-2022.json', 'r') data2d=json.load(f) f.close() <br> df=pd.DataFrame(data2d) print (df) <br> or <br> pip install jarvis-tools from jarvis.db.figshare import data data2d = data('dft_2d') <br> ######################################### For more details about using the dataset, use the jupyter-notebooks: https://github.com/JARVIS-Materials-Design/jarvis-tools-notebooks

二维材料 (2D materials) 数据集 相关来源网站：
1) https://jarvis.nist.gov/jarvisdft
2) https://jarvis-tools.readthedocs.io/en/master/databases.html
3) https://jarvis-tools.readthedocs.io/en/master/publications.html
数据集加载方法：
方法一：先解压d2-12-12-2022.json.zip压缩包，随后执行以下代码：
import os, json
import pandas as pd
f = open('d2-12-12-2022.json', 'r')
data2d=json.load(f)
f.close()
df=pd.DataFrame(data2d)
print (df)
或
方法二：先安装jarvis-tools工具包，再通过如下代码加载数据集：
pip install jarvis-tools
from jarvis.db.figshare import data
data2d = data('dft_2d')
#########################################
如需了解该数据集的更多使用细节，请参阅Jupyter Notebook示例：https://github.com/JARVIS-Materials-Design/jarvis-tools-notebooks

搜集汇总

背景与挑战

背景概述

JARVIS-DFT 2D dataset是一个关于2D材料的数据集，提供了多个版本的文件下载，支持通过jarvis-tools库或直接加载json文件使用，主要应用于凝聚态物质建模和密度泛函理论领域。