1. Further metadata workflows to e.g. capture the Gibbs Energy from a computation that included vibrational frequencies -we had realised that this energy (and associated total energies) made for excellent identifiers of a calculation, in that the numerical values could be searched using the DataCite search feature. 20 2. Media types were another searchable file attribute that served a useful purpose for identifying different types of chemical data. Further examples of such FAIR searches are collected here. 3. Since including an ORCID (Open Researcher and Collaborator Identifier) was now part of the repository initiation procedure, studentsas researchers -could now get full and open credit for their activity by automated linking to their ORCID record. 4. We recognized that research data increasingly requires sophisticated software to allow interpretation, but that such software is often only available commercially. In collaboration with the software vendor MestreLabs, we introduced a novel single-use licensing system called MNPUB. Each dataset identified as NMR data is assigned a digitally signed authority for unrestricted use of the Mnova software, albeit for that dataset only, without requiring the program itself to be commercially licensed. The MNPUB file itself is acquired from the repository and when loaded into the Mnova software, it assigns a license and then fetches the relevant dataset for re-use. This feature also introduces the concept of having access to lossless original instrumental data, often also referred to as raw or primary data, rather than the considerably reduced or lossy spectral version. Unless the original data is simply too large to be so captured, there is no compelling reason nowadays not to offer this complete version of the data. 5. Continuing the previous point, the new repository now regularly carries original x-ray diffraction images as well as the processed crystal structure data files. The former carries sufficient information to objectively reproduce the original structure determination. An example of student work with such data can be seen here. 6. The new repository extended the concept of data collections. This allowed students to contribute to a class experiment, such as that shown in Figure . Each year's class collection itself has a DOI assigned with its members being the individual student contributions and the overall experiment containing the year collections. The student submissions of the NMR spectra of their newly synthesized and original compounds also exploited the point made in item 4 above, containing not only a spectrum but also the FID (Free Induction Decay) as captured by the NMR spectrometer. The FAIR attributes could also allow e.g. an AI/ML (artificial intelligence and machine learning) algorithm in the future to retrieve the original data and in an automated manner reanalyse it for e.g. structural correctness or purity. 7. The repository itself could now host the interactive data tables as used in an article publication. Importantly, the registered metadata can formally link such data to the published article, and in the future the link is expected to become bidirectional with the article linking via a citation to the data. After six years in use, a third generation of repository is now being built, this time to flexibly accommodate new FAIR data standards being considered by an IUPAC working party allowing richer and more complete metadata to be specified in conformance with e.g. the DataCite schema, 12 as well as being based on a general repository toolkit for future ease of maintenance. It is expected that further working parties will be constituted to consider metadata standards specifically for various areas of computational chemistry.