Hello,
I would like to compare the cohesive energy of some calcium carbonates. I have been trying to use the get_cohesive_energy function for that, but I seem to run into an error that I do not really understand. I tried for some different materials to make sure it’s not just a random entry for Calcite that is missing.
The error I am receiving is the following
if (run_type := entry[“data”][“run_type”]) not in energies[mp_id]:
~~~~~~~~^^^^^^^
KeyError: ‘mp-3953’
A minimal code example would be something like this
from mp_api.client import MPRester
mpr = MPRester(‘avalidkey’)
material_id = “mp-3953”
mpr.get_cohesive_energy(material_id,normalization=‘atom’)
I saw some discussions that the API changed two years ago, but I pulled that last version from the github and it seems to be more a material property issue but I can’t really figure out how to fix it
Any pointers would be very appreciated