JARVIS-DFT 3D dataset (jdft_3d.json)
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下载链接：
https://figshare.com/articles/dataset/jdft_3d-7-7-2018_json/6815699
下载链接
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资源简介：
Dataset for 3D materials
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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
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Loading the dataset:
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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)
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or
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pip install jarvis-tools
from jarvis.db.figshare import data
data2d = data('dft_3d')
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For more details about using the dataset, use the jupyter-notebooks:
https://github.com/JARVIS-Materials-Design/jarvis-tools-notebooks<br>
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提供机构：
figshare
创建时间：
2018-07-13
