JARVIS-DFT 3D dataset (jdft_3d.json)
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资源简介：
Dataset for 3D materials <br> 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 jdft_3d-12-12-2022.json.zip import os, json import pandas as pd f = open(' jdft_3d-12-12-2022.json', 'r') data3d=json.load(f) f.close() df=pd.DataFrame(data3d) print (df) <br> or <br> pip install jarvis-tools from jarvis.db.figshare import data data2d = data('dft_3d') <br> ######################################### For more details about using the dataset, use the jupyter-notebooks: https://github.com/JARVIS-Materials-Design/jarvis-tools-notebooks<br> <br>
提供机构：
Choudhary, Kamal创建时间：
2022-12-12
