colabfit/JARVIS_SNUMAT
收藏Hugging Face2025-04-01 更新2025-04-12 收录
下载链接：
https://hf-mirror.com/datasets/colabfit/JARVIS_SNUMAT
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资源简介：
JARVIS SNUMAT数据集是JARVIS数据库的一个组成部分，包含了超过10,000种材料的电子带隙数据。这些数据是通过使用混合功能计算得出的，并且考虑了材料的稳定磁序。数据集中还包括了光学和基本带隙能量，部分数据还考虑了自旋-轨道耦合效应。该数据集旨在满足当前材料设计挑战的需要。
The JARVIS SNUMAT dataset is a part of the JARVIS database, containing electronic band gap data for over 10,000 materials. These data are computed using a hybrid functional, considering the stable magnetic ordering. The dataset also includes optical and fundamental band gap energies, with some recalculated to include spin-orbit coupling effects. It is designed to meet current challenges in materials design.
提供机构：
colabfit
