Interface with Jmol

Materials Project
1

I see that the original interface that I set up in Jmol for MP no longer works.

load =mp/19770

I get a 403: forbidden.

So is there a way I can set this up for the general user of Jmol to hav access to MP files?

Thank you,

Bob Hanson

2

Thanks for reaching out! This still seems to work for the legacy site which will soon be phased out though: https://legacy.materialsproject.org/materials/mp-19770/cif. We’ll look into adding it to our new website. Do you need our API to respond with the CIF directly or would you be able to use pymatgen to generate the CIF from a structure on the fly?

3

Please catch me up on the API with the new site… Looking for a way general Jmol users could access the data without a login if possible. More like AFLOW or OPTIMADE. I understand if that’s out of the question.

4

We run an Optimade API for Materials Project structures, too. It currently doesn’t require an API key (but that might change in the future). You could retrieve the structure for mp-19770 via

https://optimade.materialsproject.org/v1/structures/mp-19770

The Optimade API for MP, however, is not guaranteed to always be up-to-date and we don’t have a long-term commitment to continue maintaining it.

The recommended way to retrieve MP structures is via the summary endpoint in our API:
https://api.materialsproject.org/docs#/Materials%20Summary/search_materials_summary__get

Jmol users could provide their API key and Jmol would send a request with the key in the X_API_KEY header to e.g. https://api.materialsproject.org/materials/summary/?material_ids=mp-19770&_fields=material_id%2Cstructure

HTH