NOMAD Laboratory

NOMAD Repository & Archive

The NOMAD Repository and Archive has been established to host, share, and reuse materials data

The NOMAD Repository and Archive stands for open access of scientific materials data. It enables the confirmatory analysis of materials data, their reuse, and repurposing. All data is available in their raw format as produced by the underlying code (Repository) and in a common, machine-processable, and well-defined data format (Archive). Data can be downloaded and used under the CC-BY-4.0 license. 

Data can be uploaded without any barrier: results are accepted as they are; only author information and optional comments or references must be provided. We allow private curation of data before publishing; data can be published with a 3-year embargo and selectively shared. You can request digital objective identifiers (DOI's) for your datasets and cite your data.

Searching and downloading data

All publicly shared data in the NOMAD Repository and Archive can be searched and downloaded. NOMAD extracts rich metadata from the provided raw materials data. These metadata include uploader and author information, information about the simulated system, the used code and method, and properties that where computed. Data is provided on a per-code run bases: the entries in the NOMAD Repository and Archive always represent a single code-run, the associated input and output files, and an NOMAD Archive entry that covers all information that could be extracted from a code-run. In contrast to search engines like google, you are using filters on extracted metadata to filter NOMAD's data until you reach the desired information. Visit our NOMAD search interface and give it a spin.

After search you have various options to view and download data. You can look at single entries (code runs) and preview and download all raw and archive files. You can also select many or all code runs in the search result list to perform bulk downloads of arbitrarily large data. Furthermore, uploader might provide datasets. These collections of user curated data can also be downloaded at once.

Searching and downloading data is free and you do not need to register or login.

Here is a video tutorial on how to use the NOMAD search web-interface:

Providing data

To contribute your data to the NOMAD Repository and Archive, you need a NOMAD account. Visit the NOMAD to register for an account and login. The upload page acts as a staging area for your data. It allows you to upload data, to supervise the processing of your data, and to examine all metadata that NOMAD extracts from your uploads. The data on the upload page will be private and can be deleted again. If you are satisfied with our processing, you can publish the data. Only then, data will become publicly available and cannot be deleted anymore. You will always be able to access, share, and download your data. 

Here is a video tutorial on how to publish data on NOMAD:

There are various level of privacy, if you do not want to publish your data right away. First the staging area, uploaded data is not published. Publishing is an explicit action that you perform on our upload page after you are satisfied with how your data was processed and how it appears. Non published data is only visible to you. You can also delete non published data at any time. Second, you can publish data with an embargo period from upto 3 years. Only a shallow layer of metadata will be visible to others. You data will be excluded from search. The metadata will only be provided to show datasets that you might reference (e.g. in papers under review). Otherwise, embargoed data is only visible to you (and users you explicitly share your data with). You can lift the embargo at any time. After the embargo runs out, your data will be made public. Third, you publish your data without any embargo. These data become publicly available and can be seen by everyone in full.

Citing your data with a DOI

You may curate your data and create datasets to give them a hierarchical structure. These functions are available from the Your data page by selecting and editing data. You can assign a DOI for your datasets. The DOIs are provided in cooperation with Humboldt Universities library and will be resolved through the usual DOI handle systems. You can use these DOIs in citation like you would use any other DOI for documents.

The NOMAD Archive and NOMAD Metainfo

The NOMAD Archive is a structured, hierarchical, human, and machine readable representation of materials science data. All data items in the NOMAD Archive are well defined. You can browse and download the Archive version of each entry in the entry details page. The NOMAD Archive is also the bases for the NOMAD Encyclopedia and NOMAD Analytics (AI) Toolkit. These definitions form the NOMAD Metainfo. The NOMAD Metainfo stores descriptive and structured information about materials-science data contained in the NOMAD Archive. The Metainfo can be understood as the schema of the Archive. The NOMAD Archive data is structured to be independent of the electronic-structure theory code or molecular-simulation, (or beyond). The NOMAD Metainfo can be browsed as part of the NOMAD web application.

You find more videos on how to use NOAMDs API and Python package to access the NOMAD Archive and create Archive data from your code data locally in our virtual tutorials.

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