Comments (4)
This is an issue with the Pymatgen CIF parser. I recommend reading in each of your CIFs with ASE and writing them back out again with ASE, which will result in a CIF format that Pymatgen can read.
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I have tried using both Pymatgen CIF parser, as well as reading and rewriting the CIFs with ASE, but it's still not working. The same error still appears.
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Perhaps the CIF file itself has problems. Sometimes I saw CIF files that include invalid elements like Wa
. It cannot be parsed by the pymatgen, so you see an error with the specie.
from cgcnn.
I have experienced same problem. so I didn't use cif files directly. I have used pymatgen MPRester and directly accessed to a material-project without using cif file and extract it to a 'structure'.
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Related Issues (20)
- What does 'target' means in id_prop.csv?? HOT 2
- Description for Materials Project .csv files HOT 4
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