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Generate crystal structures for target compositions · Routes on Ouro

1y

Generate crystal structures for target compositions

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Input

Target composition*

Target chemical composition (e.g., 'TiO2', 'LiMnO4')

Factor

Multiplication factor for the composition's stoichiometry. Must be between 1 and 20.

Number of samples

How many structures to generate. Must be between 1 and 100.

Output
file.zip

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Generate crystal structures for target compositions

Route activity over timeSuccess

nature.com/articles/s41467-025-59636-y

github.com/hspark1212/chemeleon

1 reference

1y