XRD database from materials project?

Materials Project
1

I am interested in the XRD data from the materials project, I notice it’s provided on the website, but can that be downloaded through API?

2

This snippet might help with creating the XRD from the structures in MP. Just make sure to replace mpr.get_structure_by_material_id() with mpr.materials.search() to retrieve all materials/structures in on go, as explained in our docs. Retrieving materials one-by-one is inefficient and might result in a temporary ban from using our API.

3

Thank you so much for your response. Unfortunately, I think I cannot access the link to [This snippet]…

4

My bad. Below the snippet.

from mp_api.client import MPRester
from pymatgen.analysis.diffraction.xrd import XRDCalculator
from pymatgen.symmetry.analyzer import SpacegroupAnalyzer

with MPRester(api_key="$api_key") as mpr:
    # retrieve structures - add a query to reduce results
    docs = mpr.summary.search(fields=["material_id", "structure"])

for doc in docs:
    structure = doc.structure
    # important to use the conventional structure to ensure
    # that peaks are labelled with the conventional Miller indices
    sga = SpacegroupAnalyzer(structure)
    conventional_structure = sga.get_conventional_standard_structure()
    # this example shows how to obtain an XRD diffraction pattern
    # these patterns are calculated on-the-fly from the structure
    calculator = XRDCalculator(wavelength="CuKa")
    pattern = calculator.get_pattern(conventional_structure)
    # do something with the pattern ....
5

Thank you so much!!!