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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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@shoal shoal 2周前提交 1 个父提交 36db76c 提交 1b93053d1ae08f67686613bc167062a5df884753

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@@ -25,5 +25,7 @@
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2626 "as_of": "2026-10-20",
2727 "catalog": "0521c19bbd38"
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29+ "review": true,
30+ "approval": "first-time"
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