Request vasprun.xml

Materials Project Materials Project Data/API
1

Is it possible for me to receive the raw data (vasprun.xml) for band structure of mp-294 (UO3)?

2

Hi Shailesh,

sorry for the delayed response.

Your timing for this question is great :smile: We’re in the progress of rolling out a feature that enables MP users to download the raw calculation files for all our blessed tasks from the NOMAD Repository. Find a small preview video here. We’ve also implemented a convenience function in pymatgen’s MPRester to retrieve a list of download URLs. For mp-294, for instance, it allows you to generate the following URL which will download a 200MB zip archive containing all vasprun.xml files for all of mp-294's blessed tasks.

http://labdev-nomad.esc.rzg.mpg.de/fairdi/nomad/mp/api/raw/query?file_pattern=vasprun*&external_id=mp-294,mp-678668,mp-663580

pymatgen_nomad_download_info_mp-294
pymatgen_nomad_download_info_mp-2941220×1733 388 KB

best,
Patrick

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