An openBIS Inventory of Crystalline Materials Derived from the Materials Project Database (v2026.04.13)

This dataset comprises crystalline material records extracted from the Materials Project database (2026-04-13). The data are provided in tabular form and contain crystallographic descriptors and chemical information. The records were obtained through the Materials Project API using Python scripts and the mp-api package (version 0.46.4). They are intended for integration into an openBIS inventory, following the workflow described in 10.5281/zenodo.15731468, allowing consistent annotation of experimental and computational samples. The Materials Project database includes entries originating from the Graph Networks for Materials Exploration (GNoME) database. These GNoME-derived records are included in the dataset released with this work and are available under the terms of the Creative Commons Attribution-NonCommercial 4.0 International Licence (CC BY-NC 4.0). The use of GNoME-derived data is additionally subject to the GNoME Terms of Use. Funded by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under the National Research Data Infrastructure – NFDI 38/1 – project number 460247524