formation_energies
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下载链接:
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}
}
提供机构:
maas
创建时间:
2025-05-28



