Version of the `aiida-codtools` AiiDA plugin used for "MC3D: The Materials Cloud computational database of experimentally known stoichiometric inorganics"

Sebastiaan Philippe Huber; Michail Minotakis; Marnik Bercx; Timo Reents; Kristjan Eimre; Nataliya Paulish; Nicolas G. Hörmann; Martin Uhrin; Nicola Marzari; Giovanni Pizzi

doi:10.5281/zenodo.18406625

Version of the `aiida-codtools` AiiDA plugin used for "MC3D: The Materials Cloud computational database of experimentally known stoichiometric inorganics"

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: Sebastiaan Philippe Huber, Michail Minotakis, Marnik Bercx, Timo Reents, Kristjan Eimre, Nataliya Paulish, Nicolas G. Hörmann, Martin Uhrin, Nicola Marzari, Giovanni Pizzi

DOI: 10.5281/zenodo.18406625

Cited by: 0

Abstract

`aiida-codtools` is an AiiDA plugin package that provides support for the `cod-tools` package (https://github.com/cod-developers/cod-tools) that contains tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD). This Zenodo record contains v3.1.0 of `aiida-codtools` which was used in the creation of the Materials Cloud Three-dimensional Structure Database (https://mc3d.materialscloud.org/).

Fields of Study & Subjects

Machine Learning in Materials Science Scientific Computing and Data Management Crystal Structures and Properties

Publication details

Journal / source: Zenodo (CERN European Organization for Nuclear Research)
Publication date: 28 January 2026