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atomref

atomref is a Python library for curated atomic reference data and transfer policies for geometry and structure-analysis algorithms.

Copyright (c) 2026 Ivan Chernyshov License: LGPL-3.0-or-later (see LICENSE and COPYING)

Third-party material

The initial scaffold reuses and adapts data tables and design ideas from the Delone Commons molcryst repository, also authored by Ivan Chernyshov.