The Materials Cloud Archive is an open repository for research data that are relevant to computational materials science. Submissions to the Materials Cloud Archive are expected to be of interest and value to the field; they will receive persistent DOIs and a guaranteed lifetime of at least 10 years from submission.
You can find all informations on the submission procedure, the moderators’ checklist, the moderation policies, and the Materials Cloud Archive policies at this link.
Briefly, to submit a record to the Materials Cloud Archive you are asked to fill in a form with the research data and associated metadata that will appear in the final record - these include the title of the submission, its authors, a meaningful abstract/description, and other metadata as described in the moderator's checklist.
Note that to do this you must register with the Materials Cloud Archive. This is needed so that you will be able to (1) create new versions of records that have been accepted and published on the Materials Cloud Archive, (2) update their references and keywords, and (3) have access to your personal work area with all records you submitted to the Archive. In addition, moderators can contact you for any comments/explanations during the moderation process, and notifications can be sent to you regarding the status of your record throughout the entire submission process.
A preliminary DOI is assigned immediately upon submission. The DOI for a draft record will not resolve until moderators' approval, but will remain unchanged, and can be used elsewhere to refer to the record (e.g. in a scientific journal publication that is being prepared). After submission, the record will be reviewed by a moderator within one week (see moderation policies); moderators may ask for clarifications or revisions, to uphold the standards of the archive, or even decline records deemed out of scope. Once your record is approved, it will appear on the Materials Cloud Archive, and its DOI will start resolving at 8 PM CET the same day (or the following day if approved after 8 PM). The record will also receive a Materials Cloud record ID, that plays the same role that the volume and article number do in a standard publication, as described here.
Records must contain relevant computational materials science data.
The main focus of the Archive is to host data that help reproducing the results discussed in scientific publications.
Experimental works are currently accepted only:
- from authors affiliated with Materials Cloud partners, or
- when the work relates to published computational results, e.g. confirming or disproving them.
Please only capitalize the first letter of the first word, not all words (except where English grammar requires it, e.g. for proper nouns).
The description should clarify the topic and purpose of the work, and briefly explain the contents of the dataset.
The description should be in the format of an abstract for a journal paper.
Records should specify 3 or more relevant keywords, not counting those related to funding (see next).
For research funded by MARVEL, MaX, SNSF, EPFL, Swissuniversities, MarketPlace, Intersect, ERC, NFFA, EMMC, PRACE, and/or PASC, the record should add these funding .
Keywords are not case-sensitive.
Affiliations should include the name of the institute/faculty/department, the name of the university or research center and the location. E.g. Theory and Simulation of Materials (THEOS), École Polytechnique Fédérale de Lausanne (EPFL), CH-1015 Lausanne, Switzerland
There should be at least one reference to a journal article or preprint (even under review or in preparation).
The citation style should be: N. Surname, N. Surname, Journal VOLUME, PAGES (YEAR). [Example: A. Einstein, Ann. Physik 11, 170-187 (1903)]
If a journal article or preprint is published, a DOI (in the format e.g. 10.1038/s41565-017-0035-5) and a permalink must be provided and must resolve correctly.
If a journal article or preprint is not yet published, the citation text must end with "(accepted)", "(submitted)", "(in preparation)" or a similar note. In this case the DOI, the permalink, and the Journal's name are optional. The author should remember to update the reference when the article or preprint is published.
MARVEL-funded research should eventually link to open-access papers or arXiv preprints (NB: this is a MARVEL policy, not an Archive policy).
None of the files must contain the paper itself or any of its supplementary materials. Individual plots and tables are acceptable as part of a larger archive of files.
Copyright: Authors affirm that they have the legal right to publish what they submit. In case of doubt about some files, moderators will point this out to the authors (but the responsibility remains with them).
If the file in question is already published on the arXiv, assume that it’s fine.
In exceptional cases, it is possible to add a copyright notice to the file description and/or to the abstract.
All files should be accompanied by one-line descriptions of file contents.
Large files should be compressed (e.g. .zip, .tar.gz -- avoid proprietary compression formats).
When appropriate, detailed contents should be described in a separate file README.txt/.md/.rst placed outside the archives.
All files names should have an extension.
File size limits (total): 5 GB in general, 50 GB for AiiDA databases. Well motivated exceptions are possible: write to email@example.com.
For a full list of moderation policies and guidelines, see:
Materials Cloud Moderation Policies
v1.3, September 2020
Purpose of moderation
The Materials Cloud Archive is a research data repository for the computational materials science community. With this goal in mind, submissions should be of computational materials science data, or experimental data that relates to published computational results. Submissions can also include codes, simulations tools, and AiiDA workflows related to computational materials science.
A minimal level of moderation helps to ensure that its content is relevant to these goals. The moderation policies described below are inspired by those of the arXiv preprint server.
What criteria do moderators use?
Materials Cloud moderators will decline or suggest the removal of submissions that violate the , including:
Unsuitable content: Submissions should provide data that is of value and could be used by other researchers in
the field, for example data supporting a past, present or future refereed paper. Submissions that do not contain
data produced by original or substantive research may be removed. The same applies to submissions that contain inflammatory
or fictitious content, use mis-representative titles/abstracts/introductions, or submissions that are in need of
significant review and revision.
Inappropriate form: Abstract-only submissions, presentations, announcements, or advertisements may be removed.
Inappropriate topic: Submissions that do not fall into the domain of computational materials science may be declined
and redirected to a more appropriate repository, where applicable.
Experimental materials science submissions can be accepted if one of the following criteria is met:
the work relates to published computational results, e.g. confirming or disproving them;
Duplicated content: If a moderator notices that a new submission is really a revision of a recent submission,
the moderator may request that the user consolidates the new submission into a replacement of the previous submission.
This helps ensure that Materials Cloud is as useful as possible for readers, and it can often help authors to
present a more unified body of research.
Excessive submission rate: Data submitted to Materials Cloud must be of refereeable quality, and there is
a practical limit to the rate at which appropriate, independent submissions can be produced by any one person.
Moderators may request that any particular author limit his or her submission rate.
Submission of copyrighted material: Submitting authors must hold copyright over the entirety of the submission
when the files are uploaded to Materials Cloud.
Can I appeal a moderation decision?
If you disagree with a moderation decision, you should submit an appeal that explains your arguments clearly and succinctly.
Send a detailed email, including all relevant information (especially submission ids, former correspondence, etc.) to
Moderators are not referees and do not provide detailed feedback on submissions. Administrators thus cannot provide detailed
feedback regarding submissions deemed inappropriate, and will not enter into extended discussion regarding submissions.
patient, as moderation appeals are complex and may take some time.
In rare cases we may require that a paper discussing the data be published in a conventional journal before an appeal
The appeals process allows moderators additional time to reconsider a submission, but repeated appeals with no additional
information cannot be considered. If you send an appeal and the moderators reach the same decision as they did initially,
no further appeal should be submitted.
Who are the Materials Cloud Archive moderators?
Materials Cloud moderators are volunteer subject specialists who have been approved by the Materials Cloud consortium.
Although the moderators may be publicly acknowledged, it is very inappropriate to contact any moderator directly regarding
your submission. All communication about moderation decisions should be addressed to
Moderators will not reply to personal correspondence regarding Materials Cloud submissions.
Current and past moderators of the Materials Cloud Archive are:
Nicola Marzari, EPFL
Giovanni Pizzi, EPFL (2017 - 2019)
Leopold Talirz, EPFL (2017 - present)
Valeria Granata, EPFL (2019 - present)
Marco Borelli, EPFL (2019 - present)
Jinhui Guo, EPFL (2019 - 2020)
The Materials Cloud Archive is an open-access, repository for research data in computational materials science.
Submissions to the Materials Cloud Archive are expected to be of interest, relevance, and value to the field.
Submissions should provide data that is of value and could be used by other researchers in the field, for example data supporting a past, present or future peer-reviewed paper (see the for more details).
References to preprints and/or published articles discussing the data are recommended but not required.
Withdrawal: If uploaded content must later be withdrawn, the reason for the withdrawal will be indicated on a tombstone page, which will henceforth be served in its place. Withdrawal is considered an exceptional action, which normally
should be requested and fully justified by the original uploader. In any other circumstance reasonable attempts will be made to contact the original uploader to obtain consent. The DOI and the URL of the original object are retained.
Keywords for research funded by Materials Cloud partners
Last updated 2020-07-22.
For research funded by MaX, SNSF, EPFL, Swissuniversities, MarketPlace, Intersect, ERC, NFFA, EMMC, PRACE, and PASC add these as keywords; for research funded by MARVEL, add the keyword(s) MARVEL/XXX (XXX can be DD1, DD2, DD3, DD4, DD5, DD6, Inc1, Inc2, OSP, HPC), or just MARVEL if not associated to one of the above projects. Keywords are NoT cAsE-sEnSiTiVe.