Hi, I am wondering if it is now possible to construct Pourbaix diagram with r2SCAN data on Materials Project. In that case, should I pass MaterialsProjectDFTMixingScheme() as solid_compat to MaterialsProjectAqueousCompatibility to process all the entries including GGA/GGA+U/R2SCAN? 1 post - 1 participant Read full topic

I am qerying a lot from MP by using the following commands : a = MPRester(‘xxxMY_API_KEYxxx’) halides = a.get_entries({“elements”:{“$in”:[“Cl”,“Br”,“I”,“F”],“$all”:[“Li”]}}) #2654 materials found in MP for i in halides: band_gap = a.get_bandstructure_by_material_id(str(‘'’+halides[12].entry_id+‘'’)).get_band_gap() And I get the following error: MPRestError: REST query retur…

Where can I find the description of all convenience functions for the new MPRester? At https://api.materialsproject.org/ I can only find examples using curl. But how to convert those to python? For example, how to do something like the following programmatically? curl -X ‘GET’ ‘https://api.materialsproject.org/materials/substrates/?film_id=mp-1001836&_fields=film_orient,sub_id…