Monolayer data for heterostructure
收藏DataCite Commons2025-06-01 更新2024-08-18 收录
下载链接：
https://figshare.com/articles/dataset/Monolayer_data_for_heterostructure/22344571/1
下载链接
链接失效反馈官方服务：
资源简介：
from jarvis.db.jsonutils import loadjson d=loadjson('monolayer_data.json') import pandas as pd df=pd.DataFrame(d) print (df) phi atoms jid 0 {'nelect': 48, 'phi': 4.73414095269429, 'scf_v... {'lattice_mat': [[3.353617811446221, 0.0, 0.0]... JVASP-677 1 {'nelect': 48, 'phi': 4.530152088053274, 'scf_... {'lattice_mat': [[3.4519950338496734, 0.0, 0.0... JVASP-675 2 {'nelect': 48, 'phi': 4.842575064739249, 'scf_... {'lattice_mat': [[3.4778329262343175, 0.0, 0.0... JVASP-676 3 {'nelect': 49, 'phi': 4.152692578895887, 'scf_... {'lattice_mat': [[4.389372163294263, 0.0, 0.0]... JVASP-6835 4 {'nelect': 38, 'phi': 4.8566275698291665, 'scf... {'lattice_mat': [[4.111785578032976, 0.0, 0.0]... JVASP-6838 ... ... ... ... 1100 {'nelect': 66, 'phi': 6.835065568894292, 'scf_... {'lattice_mat': [[5.048591416059411, 0.0, -0.0... JVASP-75420 1101 {'nelect': 114, 'phi': 5.9478129766546095, 'sc... {'lattice_mat': [[3.934471688974004, 0.0, 0.0]... JVASP-75426 1102 {'nelect': 116, 'phi': 5.39584804845677, 'scf_... {'lattice_mat': [[3.9528292753768177, 0.0, 0.0... JVASP-75427 1103 {'nelect': 66, 'phi': 5.454720049299169, 'scf_... {'lattice_mat': [[6.8978373665407995, 0.003250... JVASP-76195 1104 {'nelect': 72, 'phi': 6.019888082326117, 'scf_... {'lattice_mat': [[5.549373162856539, -3.478901... JVASP-68932 <br> [1105 rows x 3 columns]
提供机构：
figshare
创建时间：
2023-03-27
