Dataset

NEP_PRB_2021


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Name NEP_PRB_2021
Extended ID NEP_PRB_2021_Fan__DS_yg0yzoiwoux8_0
Description Approximately 7,000 distinct configurations of 2D-silicene, silicon, and PbTe. Silicon data used from http://dx.doi.org/10.1103/PhysRevX.8.041048. Dataset includes predicted force, potential energy and virial values.
Authors Zheyong Fan
DOI 10.60732/7cc0df9e
https://commons.datacite.org/doi.org/10.60732/7cc0df9e
https://doi.datacite.org/dois/10.60732%2F7cc0df9e
https://doi.org/10.60732/7cc0df9e

Cite as: Fan, Z. "NEP PRB 2021." ColabFit, 2023. https://doi.org/10.60732/7cc0df9e.
For other citation formats, see the DataCite Fabrica page for this dataset.
Elements Si (74.09%)
Pb (12.95%)
Te (12.95%)
Number of Data Objects 7,426
Number of Configurations 7,426
Number of Atoms 611,808
Links https://doi.org/10.5281/zenodo.5109599
https://doi.org/10.1103/PhysRevB.104.104309
Configuration Sets by Name NEP_PRB_2021-PbTe — PbTe configurations from NEP_PRB_2021 dataset
NEP_PRB_2021-Si — Silicon configurations from NEP_PRB_2021 dataset (excludes separate silicene set)
NEP_PRB_2021-Silicene — Silicene configurations from NEP_PRB_2021 dataset
Configuration Sets by ID CS_pucoftftvy79_0
CS_tqmue3opk47a_0
CS_yjimv2knf0b8_0
Data Objects
ColabFit ID DS_yg0yzoiwoux8_0
Files colabfitspec.json

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