JARVIS-SuperconDB

JARVIS-Superconductor database for 3D &amp; 2D materials <br> unzip jarvis_epc_data_figshare_1058.json.zip <br> or unzip jarvis_epc_data_2d.json.zip <br> &gt;&gt;&gt; import pandas as pd &gt;&gt;&gt;df=pd.read_json('jarvis_epc_data_figshare_1058.json') &gt;&gt;&gt; print (df.columns) Index(['stability', 'jid', 'atoms', 'cfid', 'wlog', 'lamb', 'Tc', 'a2F', 'a2F_original_x', 'a2F_original_y', 'press'], dtype='object') &gt;&gt;&gt; print (df[['jid','Tc']]) <br> Here, jid is JARVIS-DFT ID, atoms is jarvis.core.atoms as dictionary object, wlog; lamb;Tc are omega log, coupling constant and transition temperature using McMillan Allen Dynes formula, a2F is Eliashberg function from 0 to 100 meV. <br> <br> We perform electron-phonon coupling calculations to establish a large and systematic database of BCS superconducting properties. <br> Please cite the following if you use these datatsets: 1) https://www.nature.com/articles/s41524-022-00933-1 2) https://doi.org/10.1021/acs.nanolett.2c04420 <br> For any questions/concerns, raise a issue on (https://github.com/usnistgov/jarvis/issues) or write to [e-mail]. <br> Enjoy!