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Predicting perovskite formation energy from structure
Predict the DFT heat of formation of a 5-atom perovskite cell in eV from its structure, over 18,928 cells.
| # | 路线 | MAE (eV/unit cell) ↓ | 对比基线 |
|---|---|---|---|
| — | 基线 · Best on the Matbench leaderboard (coGN) | 0.0269 | 条形从这里开始 |