five

formation_energies

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魔搭社区2025-10-09 更新2025-05-31 收录
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https://modelscope.cn/datasets/jablonkagroup/formation_energies
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资源简介:
## Dataset Details ### Dataset Description Formation and decomposition energies of inorganic solids mined from the Materials Project database. - **Curated by:** - **License:** CC BY 4.0 ### Dataset Sources - [original data source](https://github.com/CJBartel/TestStabilityML/tree/master) ## Citation **BibTeX:** ```bibtex @article{Bartel_2020, doi = {10.1038/s41524-020-00362-y}, url = {https://doi.org/10.1038%2Fs41524-020-00362-y}, year = 2020, month = {jul}, publisher = {Springer Science and Business Media {LLC}}, volume = {6}, number = {1}, author = {Christopher J. Bartel and Amalie Trewartha and Qi Wang and Alexander Dunn and Anubhav Jain and Gerbrand Ceder}, title = {A critical examination of compound stability predictions from machine-learned formation energies}, journal = {npj Comput Mater} } ```

## 数据集详情 ### 数据集描述 本数据集收录了从材料项目(Materials Project)数据库中提取的无机固体的形成能与分解能。 - **整理方:** - **授权协议:** CC BY 4.0 ## 数据集来源 - [原始数据来源](https://github.com/CJBartel/TestStabilityML/tree/master) ## 参考文献 **BibTeX格式引用:** bibtex @article{Bartel_2020, doi = {10.1038/s41524-020-00362-y}, url = {https://doi.org/10.1038%2Fs41524-020-00362-y}, year = 2020, month = {jul}, publisher = {Springer Science and Business Media有限责任公司(LLC)}, volume = {6}, number = {1}, author = {Christopher J. Bartel and Amalie Trewartha and Qi Wang and Alexander Dunn and Anubhav Jain and Gerbrand Ceder}, title = {基于机器学习形成能的化合物稳定性预测结果的批判性评估}, journal = {npj Comput Mater} }
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maas
创建时间:
2025-05-28
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