# Formation Energy Prediction on Inorganic Crystal Dataset

Source: [Formation Energy Prediction on Inorganic Crystal Dataset](<https://www.sota2.com/research/sota/formation-energy-prediction-on-inorganic-crystal-dataset>)

Collection index: [llms.txt](<https://www.sota2.com/research/llms.txt>)

Data updated: 2026-02-26T05:49:29.751Z

Evaluation of model performance on predicting the formation energies of inorganic crystals.

A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage.

| Scope | Recorded value |
| --- | --- |
| Task | Formation Energy Prediction |
| Dataset (including any stated split) | Inorganic Crystal Dataset |
| Metric | MAE (eV/atom) |
| Unit | SCALAR |
| Direction | Lower is better |
| Results loaded | 4 of 4 |
| Coverage | All results currently returned for this benchmark |

Evaluation settings may differ between results. The original papers and recorded configurations are needed to establish comparability. A shared metric name alone does not establish an identical protocol.

## Metrics

- [MAE (eV/atom)](<https://www.sota2.com/research/sota/formation-energy-prediction-on-inorganic-crystal-dataset.md?metric=MAE%20(eV%2Fatom)>): Lower is better; unit: SCALAR.

## Recorded results

| Method | MAE (eV/atom) | Result date | Report paper |
| --- | --- | --- | --- |
| CGCNN | 0.039 | Not recorded | 68fa38b61e209131ce8bcb5c |
| MT-CGCNN | 0.041 | Not recorded | 68fa38b61e209131ce8bcb5c |
| MT-CGCNN | 0.043 | Not recorded | 68fa38b61e209131ce8bcb5c |
| MT-CGCNN | 0.05 | Not recorded | 68fa38b61e209131ce8bcb5c |

### CGCNN

MAE (eV/atom): 0.039. Result ID: 698b97657a967eddb76fdab0.

[Reporting paper](<https://www.sota2.com/research/paper/68fa38b61e209131ce8bcb5c.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa37831e209131ce8b2d92.md>)

[Implementation](<https://github.com/txie-93/cgcnn>)

Recorded evaluation configuration: {"Experiment":"delta Ef"}. This record does not assert independent reproduction.

### MT-CGCNN

MAE (eV/atom): 0.041. Result ID: 698b97657a967eddb76fdab2.

[Reporting paper](<https://www.sota2.com/research/paper/68fa38b61e209131ce8bcb5c.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa38b61e209131ce8bcb5c.md>)

[Implementation](<https://github.com/soumyasanyal/mt-cgcnn>)

Recorded evaluation configuration: {"Experiment":"E2"}. This record does not assert independent reproduction.

### MT-CGCNN

MAE (eV/atom): 0.043. Result ID: 698b97657a967eddb76fdab1.

[Reporting paper](<https://www.sota2.com/research/paper/68fa38b61e209131ce8bcb5c.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa38b61e209131ce8bcb5c.md>)

[Implementation](<https://github.com/soumyasanyal/mt-cgcnn>)

Recorded evaluation configuration: {"Experiment":"E1"}. This record does not assert independent reproduction.

### MT-CGCNN

MAE (eV/atom): 0.05. Result ID: 698b97657a967eddb76fdab3.

[Reporting paper](<https://www.sota2.com/research/paper/68fa38b61e209131ce8bcb5c.md>)

[Method origin paper](<https://www.sota2.com/research/paper/68fa38b61e209131ce8bcb5c.md>)

[Implementation](<https://github.com/soumyasanyal/mt-cgcnn>)

Recorded evaluation configuration: {"Experiment":"E4"}. This record does not assert independent reproduction.

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