6d

Analyze a ZIP archive of CIF files

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Output
dataset

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Parse up to 1,000 CIF files and return one dataset row per structure, including formula, structure type, space group, source, cell metrics, and shortest interatomic distance.

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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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