#  Executive summary

This document is a deliverable of the CARBAT project funded by the European
Union’s H2020-FETOPEN2016-2017 Programme under Grant Agreement #766617. It
describes the initial Data Management Plan (DMP) whose purpose is to set out
the main elements of the CARBAT consortium data management policy for all data
generated within the project. This DMP follows the recommendations provided by
the European Commission through the “ _Guidelines on FAIR Data Management in
Horizon 2020_ ”. It is a living document to be updated at regular intervals
during the project. The final DMP will be available by the completion of the
project on month 36.

#  Purpose of the CARBAT Data Management Plan

CARBAT partners aim on engaging in activities that will maximize
discoverability and the preservation of the data generated during the project,
ensuring an increased impact of the developed knowledge. Thus, the CARBAT
project participates in the Open Research Data Pilot launched by the European
Commission along with the Horizon 2020 programme, and as such has elaborated a
Data Management Plan (DMP) in agreement with the recommendations provided by
the European Commission.

The present DMP describes the key data management principles, notably in terms
of data standards and metadata, sharing, archiving and preservation, and is
organized per work package.

The project will use decentralized access to data, each partner being
responsible for long term storage of the data after the end of the project.
This structure will provide the required flexibility for handling IPR
requested by the partners. In the next section (“Data summary”), it is
explained which datasets are expected to be produced during the project for
every partner per work package.

The consortium has agreed to potentially publish with open access data
produced within the project, once those deemed suitable for Intellectual
Property Rights (IPR) protection have been duly identified and protected
through the specifically designed IPR Management Plan and Communication and
Dissemination Plan. To this end, the CARBAT consortium will consult the
concerned partner(s) before publishing data.

#  Data summary

The main objective of CARBAT is to achieve proof-of-concept for a Ca metal
rechargeable battery with high energy density through the cooperative
development of high capacity cathode materials and optimization of reliable
and efficient non-aqueous electrolyte formulations. CARBAT will accomplish
this by combining scientific efforts and excellence in computational
screening, solid-state and coordination chemistry, materials science,
electrochemistry and battery engineering. All CARBAT partners have identified
the datasets expected to be generated during the different phases of the
project:

  * WP1 (Management, IPR & Communication; Involved partners: CSIC): this WP concerns the management of the project, hence no scientific datasets will be generated. Besides, WP1 is in charge of disseminating the project results to both scientific community and society and will produce 7 reports in Portable Document Format (PDF). 

  

  * WP2 (Cathode development; Involved partners: UCM, CSIC, FRAUNHOFER): main outcome of this WP is the selection of a crystal structure, suitable as host for Ca  2+  , its synthesis, structural characterization and electrochemical testing. Expected generated datasets are: crystal structure datasets from DFT calculations (cif formats), output files from DFT calculations (VASP files format), synthesis protocols (.txt), SEM micrographs (.tiff), electrochemical protocols (.txt, Excel, Origin), electrochemical cycling data (ec-lab, Excel, Origin), compatibility and processability protocols (.txt). In addition, 5 reports (PDF) will be produced throughout the completion of the WP. 

  

  * WP3 (Electrolyte development; Involved partners: CHALMERS, CSIC, FRAUNHOFER): main outcome of this WP is the selection of an appropriate electrolyte formulation through computational and physicochemical characterization of its properties, and assessment of possible interactions with the cathode active materials by electrochemical cycling and FTIR measurements. Expected generated datasets are: ionic conductivities (.txt), density and viscosity data (.txt), log-files from DFT calculations (.log), sigma-files from COSMO-RS simulations (cosmo), electrochemical protocols (.txt, Excel), electrochemical cycling data (.txt, Excel, Origin) compatibility and processability protocols (.txt). In addition, 5 reports (PDF) will be produced throughout the completion of the WP. 

  

  * WP4 (Electrode processing and prototyping; Involved partners: CHALMERS, FRAUNHOFER): main objective of this WP is the assembly of demonstrator cell following the development of electrode processing protocols, validation of selected materials from WP2&3 and benchmarking of results _vs._ LIB technology. Expected generated datasets are: processing protocols (.txt), electrochemical protocols (.txt, Excel, Origin), electrochemical cycling data (.txt, Excel, Origin), benchmarking/sustainability tests (Excel, Origin). In addition, 3 reports (PDF) will be provided by the end of the WP. 

  

A re-evaluation of the produced datasets, as well as their formats and sizes,
will be provided in the course of completion of each WP.

All CARBAT partners have identified the types of data that will be re-used in
the different phases of the project, and their sources:

  * WP1: no re-used data. 

  

  * WP2: collection of crystal structures from ICSD and AMCSD databases; synthesis protocols from research articles. 

  

  * WP3: no re-used data. 

  

  * WP4: collection of models and processes from Ecoinvent database. 

  

#  FAIR Data

Research data created within the CARBAT project is owned by the partner who
generates it (GA Art. 26). Each partner must disseminate its results as soon
as possible unless there is legitimate interest to protect the results. A
partner that intends to disseminate its results must give advance notice to
the other partners together with sufficient information on the results it will
disseminate (GA Art. 29.1). Relevant results will be directly shared between
the CARBAT consortium partners on demand, via the website intranet. The
following describes the proper management of data by each partner.

**CSIC** is involved in WP1, 2 and 3.

  * CSIC is the lead beneficiary of the deliverable reports produced within WP1 and of the deliverable reports D2.2 and D2.4 produced within WP2. Reports with public dissemination level will be made available on the CARBAT project website, while reports identified as confidential will be available only for the members of the consortium (website intranet) and for the Commission Services (H2020 FET Open platform). 

  

**UCM** is involved in WP1 and 2.

  * UCM is the lead beneficiary of the deliverable reports D2.1 and D2.3 produced within WP2. Reports with public dissemination level will be available on the CARBAT project website, while reports identified as confidential will be available only for the members of the consortium (website intranet) and for the Commission Services (H2020 FET Open platform). 

  

**CHALMERS** is involved in WP1, 3 and 4.

  * CHALMERS is the lead beneficiary of the deliverable reports D3.1-3.4 produced within WP3 and D4.1 within WP4. Reports with public dissemination level will be available on the CARBAT project website, while reports identified as confidential will be available only for the members of the consortium (website intranet) and for the Commission Services (H2020 FET Open platform). 

  

**FRAUNHOFER** is involved in WP1, 3 and 4.

  * FRAUNHOFER is the lead beneficiary of the deliverable reports D2.5 produced within WP2, D3.5 within WP3 and D4.1-4.2 within WP4. Reports with public dissemination level will be available on the CARBAT project website, while reports identified as confidential will be available only for the members of the consortium (website intranet) and for the Commission Services (H2020 FET Open platform). 

  

Research data generated can be stored (after IPR protection and/or
publication) in the CSIC repository (DIGITAL.CSIC, which provides secure,
long-term storage for research data), and/or the Fraunhofer home repository
(FraunhoferePrints, which is an Open Access Server complying with standards
and services that promote data integrity, exchange and long term archiving).

Each deposited data file will be accompanied by a metadata file in order to
describe it, make it discoverable and traceable. When needed, embargo period
on sensitive data will be used, however information about the restricted data
will be published in the data repository, and details of when the data will
become available will be included in the metadata file.

The CARBAT partners engage on generating data in a standardised way (using
standard formats as described in “Data summary” section) in order to make the
data interoperable, which will ensure that the datasets can be understood,
interpreted and shared in isolation alongside accompanying metadata and
documentation.

A strategy for storage of the research data files after completion of the
project is being developed by the CARBAT consortium and will be included in
the DMP later.

All CARBAT partners are expecting to create highly publishable results during
the project, these results will be available in form of scientific articles.
Each partner is responsible for always providing Green Open access to research
publications they have produced and Gold Open access when possible.

Where a restriction on open access to data is necessary, attempts will be made
to make data available under controlled conditions to other individual
researchers. All the research data will be of the highest quality, have long-
term validity and will be well documented in order other researchers to be
able to get access and understand them after 5 years. If datasets are updated,
the partner that possesses the data has the responsibility to manage the
different versions and to make sure that the latest version is available in
the case of publically available data. Quality control of the data is the
responsibility of the relevant responsible partner generating the data.

#  Allocation of resources

There are no immediate costs anticipated to make the data produced FAIR, since
during the CARBAT project the datasets will be deposited in the corresponding
Institution home repositories by each CARBAT partner. Any unforeseen costs
related to open access to research data in Horizon 2020 are eligible for
reimbursement throughout the duration of the project under the conditions
defined in the Article 6.2 of the Grant Agreement.

#  Data security & Ethics

The CARBAT partners have access to institutional home repositories for long
term storage and preservation of the generated research data. The DIGITAL.CSIC
repository has been awarded the Data Seal of Approval (DSA), certifying that
this repository meets the national and international quality guidelines for
digital data archiving. All the DSA information is public and accessible
following the link :
_https://assessment.datasealofapproval.org/assessment_120/seal/html/_ .

The Fraunhofer-ePrints repository follows well documented data publication
policies, accessible at the following link:
_http://publica.fraunhofer.de/starweb/ep09/en/guide_2.htm_ .

Each CARBAT partner should respect the policies set out in this DMP. Datasets
have to be created, managed and stored appropriately and in line with European
Commission and local legislation. Dataset validation and registration of
metadata and backing up data for sharing through repositories is the
responsibility of the partner that generates the data in the WP.

Consortium partners will impose a strict policy on all employees, co-workers,
subcontractors, etc. having access to the data. This policy will include, but
is not limited to: contractual clauses, agreement to terms and conditions
before access is granted, allowing copies on local devices only during
processing of the data with guaranteed erasure after being processed, etc.

The CARBAT project does not involve the use of human participants or personal
data in the research and therefore there is no requirement for ethical review.

#  Conclusions

This Data Management Plan provides an overview of the data expected to be
produced in the course of completion of the CARBAT project and its proper
management (according to the FAIR principles), together with related
constraints that need to be taken into consideration.

All project partners will be producers and owners of data, which implies
specific responsibilities in terms of data quality, accessibility and
preservation, described in the present document. Specific attention will be
given to ensuring that the data made public breaks neither confidentiality nor
partner IPR rules.