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// constructs / perovskite_decomposition_energy

Perovskite Decomposition Energy

id: perovskite_decomposition_energy

The DFT-calculated energy difference between a perovskite ABX3 compound and its most stable decomposition products (eV/atom). Negative values mean the perovskite is thermodynamically stable; positive values indicate it will spontaneously decompose. More physically rigorous than geometric tolerance factors.

// usage

Used in 1 pax

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