GNC_31_70.npz
收藏DataCite Commons2021-06-02 更新2024-07-28 收录
下载链接：
https://figshare.com/articles/dataset/GNC_31_70_npz/14635347
下载链接
链接失效反馈官方服务：
资源简介：
Gallium Neural Clusters GNC dataset consist of 6851 optimized structures and DFT energies of Gallium clusters of size ranging from 31 to 70 atoms.<br>The ".npz" file contains optimized geometries cartesian coordinates, energy and Topological Atomic Descriptor (TAD) which is used as feature vector to train our model DART for binding energy prediction of Gallium clusters.<br>
提供机构：
figshare
创建时间：
2021-05-21
