JARVIS-SuperconDB

JARVIS-Superconductor database for 3D & 2D materials unzip jarvis_epc_data_figshare_1058.json.zip or unzip jarvis_epc_data_2d.json.zip >>> import pandas as pd >>>df=pd.read_json('jarvis_epc_data_figshare_1058.json') >>> print (df.columns) Index(['stability', 'jid', 'atoms', 'cfid', 'wlog', 'lamb', 'Tc', 'a2F', 'a2F_original_x', 'a2F_original_y', 'press'], dtype='object') >>> print (df[['jid','Tc']]) 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. We perform electron-phonon coupling calculations to establish a large and systematic database of BCS superconducting properties. 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 For any questions/concerns, raise a issue on (https://github.com/usnistgov/jarvis/issues) or write to [e-mail]. Enjoy!