Dataset

NEP_PRB_2021


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Name NEP_PRB_2021
Extended ID NEP_PRB_2021_Fan__DS_9ngg9wkdp48u_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
Elements Si (85.36%)
Pb (7.32%)
Te (7.32%)
Number of Data Objects 7,078
Number of Configurations 7,078
Number of Atoms 529,214
Links https://doi.org/10.5281/zenodo.5109599
https://doi.org/10.1103/PhysRevB.104.104309
Configuration Sets by Name NEP_PRB_2021-PbTe — All PbTe configurations from NEP_PRB_2021 dataset
NEP_PRB_2021-Si — All silicon configurations from NEP_PRB_2021 dataset (excluding separate silicene set)
NEP_PRB_2021-Silicene — All Silicene configurations from NEP_PRB_2021 dataset
Configuration Sets by ID CS_gdyker6lnnjn_0
CS_gm5eiootwcrb_0
CS_kzm6x95mcox6_0
Data Objects
ColabFit ID DS_9ngg9wkdp48u_0
Files colabfitspec.json

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