---
title: oqmd
canonical_url: "https://www.modelscope.cn/datasets/jablonkagroup/oqmd"
md_url: "https://www.modelscope.cn/datasets/jablonkagroup/oqmd.md"
repository: jablonkagroup/oqmd
last_updated: 2025-05-27
license: "Apache License 2.0"
storage_size: "791 MB"
downloads: 1217
stars: 1
---

# oqmd

> oqmd - jablonkagroup 在 ModelScope 开源的数据集。Open Quantum Materials Database (OQMD) is a database of DFT-computed thermodynamic and structural properties of materials. We used a compilation of a prior version of this database.

jablonkagroup/oqmd 是 ModelScope 魔搭社区上的数据集，存储大小 791 MB，采用 Apache License 2.0 许可。

- **Repository**: jablonkagroup/oqmd
- **License**: Apache License 2.0
- **Storage size**: 791 MB
- **Downloads**: 1217
- **Stars**: 1
- **Last updated**: 2025-05-27

Source: https://www.modelscope.cn/datasets/jablonkagroup/oqmd

---

## Dataset Details

### Dataset Description

Open Quantum Materials Database (OQMD) is a database of DFT-computed thermodynamic and structural properties of materials.
We used a compilation of a prior version of this database.

- **Curated by:**
- **License:** CC-BY 4.0

### Dataset Sources

- [raw data source](https://oqmd.org/)

## Citation

<!-- If there is a paper or blog post introducing the dataset, the APA and Bibtex information for that should go in this section. -->

**BibTeX:**

```bibtex
@article{yamamoto2019crystal,
 title={Crystal graph neural networks for data mining in materials science},
 author={Yamamoto, Takenori},
 journal={Research Institute for Mathematical and Computational Sciences, LLC},
 year={2019}
 }
@article{kirklin2015open,
  title={The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies},
  author={Kirklin, Scott and Saal, James E and Meredig, Bryce and Thompson, Alex and Doak, Jeff W and Aykol, Muratahan and R{\"u}hl, Stephan and Wolverton, Chris},
  journal={npj Computational Materials},
  volume={1},
  number={1},
  pages={1--15},
  year={2015},
  publisher={Nature Publishing Group}
}{spa}
```