AgPd NPJ 2021
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资源简介：
The dataset consists of energies, forces and virials for DFT-VASP-generated Ag-Pd systems. The data was used to fit an active learned dataset which was used to compare MTP- and SOAP-GAP-generated potentials.
该数据集包含了由 DFT-VASP 生成 Ag-Pd 系统的能量、力和配分函数。数据被用于拟合一个主动学习的数据集，该数据集随后被用于比较 MTP-和 SOAP-GAP 生成的势能。
提供机构：
ColabFit
