Matthew Evans

As I mentioned in the last meeting, I like the idea of a [datasette](https://github.com/simonw/datasette)-like tool for OPTIMADE. that allows for local exploration and filtering of materials datasets without needing the...

I just came across [Matgen](https://matgen.nscc-gz.cn/index.html), a set of databases from a large Chinese academic consortium, via this paper: He, B., Chi, S., Ye, A. et al. High-throughput screening platform for...

[CMU Alloy Database](http://alloy.phys.cmu.edu/) out of the group of Prof Michael Widom, last update to the website/data was 2011, but it is still alive. This could be a great candidate for...

[American Mineralogist Crystal Structure Database](http://rruff.geo.arizona.edu/AMS/amcsd.php) (down at the moment, but available via [Wayback Machine](http://web.archive.org/web/20210630012906/http://rruff.geo.arizona.edu/AMS/amcsd.php)). Crystal structures of all minerals published across various mineralogy journals, grouped by mineral name.

[f-electron structure database (FESD)](http://199.229.237.45:8080). Contains LAPW DFT calcs on known lanthanide/actinide-containing crystal structures, possibly also novel/predicted structures (preprint from 2017 says available soon), and possibly also DFT+DMFT calculations.

[MIP-3d](www.mip3d.org): database focused on thermoelectric properties of known structures Yao, M., Wang, Y., Li, X. et al. Materials informatics platform with three dimensional structures, workflow and thermoelectric applications. Sci Data...

[Organic Crystals in Electronic and Light-Oriented Technologies (OCELOT)](https://oscar.as.uky.edu/)

[MaterialsAtlas.org](MaterialsAtlas.org) (website currently down but there is a preprint: "MaterialsAtlas.org: A Materials Informatics Web App Platform for Materials Discovery and Survey of State-of-the-Art" [arXiv 2109.04007](https://arxiv.org/abs/2109.04007)) (overlapping devs with Carolina MatDB...

As this list grows, I think it makes sense to collect a table of who we have actually contacted in the top comment... here is a draft below, feel free...

[ACCDB](https://github.com/peverati/ACCDB) - think this has been mentioned in the past but I couldn't find it. A large number of static databases of crystal/molecular geometries used for benchmarking new methods. Could...