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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.
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基线保持在 MAE (eV/unit cell) 0.0269。
Predict the DFT heat of formation of a 5-atom perovskite cell in eV from its structure, over 18,928 cells.
基线保持在 MAE (eV/unit cell) 0.0269。