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A stand alone schema to generate 'standarized' perovskite compositions #17

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Pepe-Marquez opened this issue May 24, 2024 · 0 comments
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@Pepe-Marquez
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This would be using the Ions subsection in the perovskite section. For this we would need to have suggestions to the ions schema.

  • Read ions from the Excel files into variables and feed them into the ELN suggestions. start first with the abbreviations but move also with the names. The logic should pick whatever is edited.
  • Check the reversed logic, write the long_composition, and generate the subsections automatically.
  • Unit tests with archives providing only the long_form and generating the ions subsection
  • Unit tests providing the ions subsection and generating the long_form

Ideally, we could check the charge balance of the final formula. We can do possibly this by using SMACT.

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