Feature Requests item #3602319, was opened at 2013-01-27 15:53
Message generated for change (Comment added) made by shyuep
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Category: New IO Format
Group: None
Status: Open
Priority: 5
Private: No
Submitted By: Shyue Ping Ong (shyuep)
Assigned to: Bob Hanson (hansonr)
Summary: Support for the MaterialsProject
Initial Comment:
Hi there,
I would like to request for support for the Materials Project
(www.materialsproject.org) to be built into Jmol, similar to the current
support for PDB. The Materials Project is an initiative to make publicly
available the computed data of all known inorganic compounds. Today, it already
has more than 30,000 compounds in the database. CIF files from the materials
project can be obtained by the following url form:
www.materialsproject.org/materials/{material_id}/cif
where {material_id} is an integer identifier.
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Comment By: Shyue Ping Ong (shyuep)
Date: 2013-01-28 16:29
Message:
Thank you! Yes, there is a REST interface for the Materials Project called
the Materials API. For example, you can get a list of integer ids relating
to a specific formula by doing:
https://www.materialsproject.org/rest/v1/materials/Fe2O3/mids
or
https://www.materialsproject.org/rest/v1/materials/Fe-O/mids
Most queries via the API require an API key, but this particular material
ids query does not require it. With this query, you can allow users to
query for ids via a formula or chemical system, and then showing the cif
via the material id. More details on other queries can be found at
https://materialsproject.org/wiki/index.php/The_Materials_API#materials_ids
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Comment By: Bob Hanson (hansonr)
Date: 2013-01-28 01:30
Message:
superb idea! I have checked in:
load =mp/id
for example:
load =mp/547211
What about searching? Is there a REST-like interface for searching the
MaterialsProject?
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https://sourceforge.net/tracker/?func=detail&atid=379136&aid=3602319&group_id=23629
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