API access to info on task relaxation plots

Materials Project Materials Project Data/API
2

Welcome to the forum, Pezhman!

I can’t find where this is documented, but if you have a URL for a task detail page, making sure that it is the URL for just the task and not keyed off the material, e.g.

https://materialsproject.org/tasks/mp-19770#mp-714977

is what you see when you navigate to task mp-714977 through its association with material mp-19770, but you want to change that URL to

https://materialsproject.org/tasks/mp-714977

, then you can append /json to the URL to get a JSON representation of the task detail (and you can access this programmatically of course):

import requests

task_doc = requests.get(
    "https://materialsproject.org/tasks/mp-714977/json"
).json()

. You can then dig into e.g. the “calcs_reversed” field (calculation details in reverse-chronological order), and within that the “output” field, which in turn has an “ionic_steps” array field, where each sub-document has an “electronic_steps” field, etc. The schema for task documents are implicitly documented by atomate workflows, so you can search through that code for greater clarity on the meaning and provenance of each field.

2 Likes