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Generate OLED features from a CIF · Routes on Ouro

6d

Generate OLED features from a CIF

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Input

Input file*

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Output
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Parse a CIF's chemical formula and generate its 22 stoichiometry-weighted Oliynyk elemental descriptors.

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cifkit

Attribution

·v1.0.0

Is supplement to

cifkit: A Python package for coordination geometry and atomic site analysis

Sangjoon Lee & Anton O. Oliynyk · Journal of Open Source Software · 2024

Paperdoi.org/10.21105/joss.07205 Repositorygithub.com/bobleesj/cifkit Sourcebobleesj.github.io/cifkit/intro.html

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