JARVIS-DFT 3D dataset (jdft_3d.json)

Dataset for 3D materials

Websites: 

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

Loading the dataset:

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)

or

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