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sloshy
sloshy
2:37 AM
unfreeze ♫ the heat never bothered me anyway🎶
 
 
9 hours later…
Materials Project
Materials Project
11:12 AM
Materials Project - Materials Science Community…: How does get_entries_in_chemsys() get the compositions
posted on January 29, 2023 by Asif-Iqbal-Bhatti

Hallo, Regarding the “mpr.get_entries_in_chemsys()” how does this function includes the list of materials ids in a chemical space (among a large database) that will be necessary to built the phase diagram. What is the underlying algorithm that selects possible composition in a chemical space. NB: I cannot find the source code on the pymatgen website. Groetjes, Asif …

 
 
3 hours later…
Materials Project
Materials Project
2:34 PM
Materials Project - Materials Science Community…: Unexpected limitations on the length of data in mp_api
posted on January 29, 2023 by Takeshi_Miyake

Unexpected limitations on the length of data in mp_api I met a prolem that there seemed to be unexpected limitations on the length of data, using get_structure_by_material_id, get_dos_by_material_id, get_bandstructure_by_material_id. This is similar to the one as reported in Getting structure using material id in for loop not pymatgen This is di…

 
 
5 hours later…
Materials Project
Materials Project
8:03 PM
Materials Project - Materials Science Community…: Download CIF files using MP new API
posted on January 29, 2023 by Moe1

I’m trying to get CIF files using the API materials.search() and structure.to() and create different files, but I’m getting stuck with it. Can someone help me! Thank you. mids=mpr.materials.search(material_ids= ["mp-149", "mp-4163"], fields=["structure"]) for i in range(len(mids)): structure=mids[i].structure structure.to(filename="cif"%i) 1 post - 1 partici…

 

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