phonons
收藏DataCite Commons2020-08-26 更新2024-07-27 收录
下载链接：
https://figshare.com/articles/phonons/9755453
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资源简介：
<pre>Matbench v0.1 test dataset for predicting vibration properties from crystal structure. Original data retrieved from Petretto et al. Original calculations done via ABINIT in the harmonic approximation based on density functional perturbation theory. Removed entries having a formation energy (or energy above the convex hull) more than 150meV.</pre>
提供机构：
figshare
创建时间：
2019-09-04
