simulation parameters, synthesis protocols etc.), and it will have moderate
size on the order of typically few tens of GB.

Depending on the Work Package involved in data generation, data may not only
be useful for members inside the consortium but also for other academic
institutions or for industry that might want to do benchmarking of new models,
protocols or materials in comparison with existing battery technology.

**3.2 How will data be managed internally?**

All LiRichFCC partners provide appropriate storage facilities for research
data and provide controlled accesses as well as appropriate infrastructure.
They also support free access to research data considering ethical, legal,
economic, and contractual framework conditions.

**3.3 What data can be made public?**

For those data that can be made public, it needs to be ensured that it is
findable, accessible, interoperable, and reusable (FAIR). To this end,
proprietary formats (see 3.1) will be converted into international standard
formats such as ASCII and stored as text files. That way, scientists and
development engineers from all over the world which are researching on the
field of Liion batteries or the synthesis and electrochemistry of new Li-rich
cathode materials for Li-ion batteries will benefit from the LiRichFCC
program.

The consortium is currently preparing the following data sets to be made
publicly available on the project website as well as selected repositories:  
  
<table>  
<tr>  
<th>

**Partner**

</th>  
<th>

**Record Name**

</th>  
<th>

**ID**

</th>  
<th>

**Data Type**

</th>  
<th>

**Short description**

</th>  
<th>

**Type of data**

**within record**

</th> </tr>  
<tr>  
<td>

**CEA**

</td>  
<td>

AlF3 coatings

</td>  
<td>

CEA01

</td>  
<td>

exp

</td>  
<td>

XRD of AlF3 coated materials and XRD

acquisition protocol

</td>  
<td>

XRD, protocols

</td> </tr>  
<tr>  
<td>

**CEA**

</td>  
<td>

AlF3-coated Li2VO2F

</td>  
<td>

CEA02

</td>  
<td>

exp

</td>  
<td>

Electrochemical results of galvanostatic cycling of 1wt%, 2wt%,

3wt% AlF3 coated

Li2VO2F

</td>  
<td>

charge/discharge, protocols

</td> </tr>  
<tr>  
<td>

**CEA**

</td>  
<td>

Separator study

</td>  
<td>

CEA03

</td>  
<td>

exp

</td>  
<td>

Electrochemical results of the study of the effect of the separator nature
(Celgard alone,

Whatman+Celgard))

</td>  
<td>

charge/discharge, protocols

</td> </tr>  
<tr>  
<td>

**CEA**

</td>  
<td>

Electrolyte additives

</td>  
<td>

CEA04

</td>  
<td>

exp

</td>  
<td>

Electrochemical results of galvanostatic cycling with the different additives
(LiBoB, LiODFB, FEC

and glycolide)

</td>  
<td>

charge/discharge, protocols

</td> </tr>  
<tr>  
<td>

**CEA**

</td>  
<td>

Voltage window

</td>  
<td>

CEA05

</td>  
<td>

exp

</td>  
<td>

Electrochemical results of the study on the cutoff effect (1V4.1v, 1.3V-4.1V,
1.5V4.1V, 1.5V-4.3V)

</td>  
<td>

charge/discharge, protocols

</td> </tr>  
<tr>  
<td>

**CEA**

</td>  
<td>

Protocolls - CEA

</td>  
<td>

CEA06

</td>  
<td>

exp

</td>  
<td>

Corresponding

protocols for

</td>  
<td>

supplement to CEA01 - CEA05

</td> </tr>  
<tr>  
<td>

</td>  
<td>

</td>  
<td>

</td>  
<td>

</td>  
<td>

electrochemical testing as well as electrode making and coin cell mounting

</td>  
<td>

</td> </tr>  
<tr>  
<td>

**DTU**

</td>  
<td>

XRD

characterization

</td>  
<td>

DTU01

</td>  
<td>

exp

</td>  
<td>

Collection of XRD data from LiRichFCC

materials

</td>  
<td>

XRD, operando

XRD, protocols

</td> </tr>  
<tr>  
<td>

**DTU**

</td>  
<td>

Atomic

Simulation

Environment

</td>  
<td>

DTU02

</td>  
<td>

code

</td>  
<td>

Tools and Python modules for setting up, manipulating, running, visualizing
and analyzing atomistic

simulations

</td>  
<td>

code

</td> </tr>  
<tr>  
<td>

**DTU**

</td>  
<td>

Simulated structural data

</td>  
<td>

DTU03

</td>  
<td>

theory

</td>  
<td>

Structural data of LiRichFCC materials obtained with DFT and cluster expansion
methods

</td>  
<td>

structural data

</td> </tr>  
<tr>  
<td>

**KI**

</td>  
<td>

Ceramic synthesis

</td>  
<td>

KI01

</td>  
<td>

exp

</td>  
<td>

Ceramic Synthesis, characterization and electrochemical performance

</td>  
<td>

XRD, EIS,

protocols

</td> </tr>  
<tr>  
<td>

**KI**

</td>  
<td>

Li2MnO2F

</td>  
<td>

KI02

</td>  
<td>

exp

</td>  
<td>

Li2MnO2F synthesis by ball milling. XRD, ICP-MS and TEM characterization.
Galvanostatic

charge/discharge cycles measured at

C/10 (22,4 mAg-1)

</td>  
<td>

XRD, ICP-MS,

TEM,

charge/discharge, protocols

</td> </tr>  
<tr>  
<td>

**KIT**

</td>  
<td>

Na-rich FCC

</td>  
<td>

KIT01

</td>  
<td>

exp

</td>  
<td>

Attempt to synthesize sodium-rich disordered rock-salt oxyfluoride material,
to be used as a cathode in Na-ion batteries.

</td>  
<td>

XRD, SEM,

charge/discharge, protocols

</td> </tr>  
<tr>  
<td>

**UU**

</td>  
<td>

Interface data

</td>  
<td>

UU01

</td>  
<td>

exp

</td>  
<td>

Interfacial

characterization data

</td>  
<td>

XPS

</td> </tr> </table>

The “Atomic Simulation Environment” developed by DTU is already available as
open source freeware at  _https://wiki.fysik.dtu.dk/ase/_ .  All structural
data obtained via simulation have been uploaded on NOMAD. In addition, the
consortium has already published and plans to publish key raw data together
with scientific publications.

**3.4 What processes have been implemented?**

The partners of the LiRichFCC consortium combine over a century of experience
in research data handling, and have developed efficient ways to archive and
share data. Nonetheless, research has become increasingly more
interdisciplinary, and amounts of data generated are on the rise. Therefore,
especially for collaborative work within individual work packages, the
partners follow internal codes and standards for making data findable.

**Parameter sets, methods and protocols** will be stored in text documents
that follow standardized naming conventions jointly defined by the LiRichFCC
partners to ensure maximum findability, accessibility and interoperability.

**Aggregated data** in the form of presentations, reports (deliverables),
publications, or patents follow standardized naming conventions. For example,
presentations and reports include the name of the project, the corresponding
work package, and the date. Deliverables can be identified by their
deliverable number, publications have unique DOIs, and patents are numbered
per international standards. Public aggregated data will by default be made
available on the project webpage (  _www.lirichfcc.eu_ )  as well as in a yet-
to-be-determined professional repository.

Aggregated data to be shared will always be in a format that can be used and
understood by a computer. They will typically be stored in PDF formats that
are either standardised or otherwise publicly known so that anyone can develop
new tools for working with the documents.

**Raw experimental or theoretical data** that have been identified as non-
restricted will be converted into a standard, non-proprietary format (ASCII
text file) and combined with necessary meta data in the form of a text
document and PDF file. Such data will be available on the project website as
well as from a professional repository.

General consideration regarding publication, depositing or patenting of
research data are summarized by the Figure below that has been reproduced from
the H2020 Program Guidelines to the Rules on Open Access to Scientific
Publications and Open Access to Research Data in Horizon 2020:

#  OUTLOOK

The project has ended on Sept. 30, 2019. The consortium plans a series of
scientific publications based on project results and prepares selected data
sets for publication (see 3.3).