Downloads

The .json version of the dataset available here was compressed directly using xz utils and comprises a single 9.8 gb .json file. In the future, a postgreSQL version will also be available for download here. If you want access to the graph representation version of the dataset or to the raw DFT files, please contact me at mnouman@atomqm.com

Instructions

• Click the link corresponding to the version of the dataset you want to download
• On Linux and Mac OS with xz utils installed, you can simply run xz -d -v atomqm.json.xz once the file is fully downloaded
• On Windows, open WinRAR or 7zip and follow the corresponding GUI to decompress the xz file

Notice that the database is stored in a single file despite windows displaying it as an archive.

Enjoy!