When running a notebook I generated about six months ago, I am encountering an error when I try and load ElementFraction from matminer.featurizers.compostion. The versions of the two libraries are the latest (as of this writing) with pip listing there version numbers as matminer 0.9.0 and pymatgen as 2024.3.1. Simply attempting to load the library featurizers.composition results in an error from pymatgen.core.periodictable relating to “Unexpected atomic number Z=119”. Is this a pymatgen problem?
`from matminer.featurizers.composition import ElementFraction
ValueError Traceback (most recent call last)
Cell In[4], line 1
----> 1 from matminer.featurizers.composition import ElementFraction
File /data/mamba/envs/pymatgen/lib/python3.12/site-packages/matminer/featurizers/composition/init.py:1
----> 1 from matminer.featurizers.composition.alloy import Miedema, WenAlloys, YangSolidSolution
2 from matminer.featurizers.composition.composite import ElementProperty, Meredig
3 from matminer.featurizers.composition.element import (
4 BandCenter,
5 ElementFraction,
6 Stoichiometry,
7 TMetalFraction,
8 )
File /data/mamba/envs/pymatgen/lib/python3.12/site-packages/matminer/featurizers/composition/alloy.py:16
13 from pymatgen.core.periodic_table import get_el_sp
15 from matminer.featurizers.base import BaseFeaturizer
—> 16 from matminer.featurizers.composition.packing import AtomicPackingEfficiency
17 from matminer.featurizers.utils.stats import PropertyStats
18 from matminer.utils.data import CohesiveEnergyData, MagpieData, MixingEnthalpy
File /data/mamba/envs/pymatgen/lib/python3.12/site-packages/matminer/featurizers/composition/packing.py:13
10 from sklearn.neighbors import NearestNeighbors
12 from matminer.featurizers.base import BaseFeaturizer
—> 13 from matminer.featurizers.composition.element import ElementFraction
14 from matminer.featurizers.utils.stats import PropertyStats
15 from matminer.utils.data import MagpieData
File /data/mamba/envs/pymatgen/lib/python3.12/site-packages/matminer/featurizers/composition/element.py:202
198 def implementors(self):
199 return [“Jiming Chen”, “Logan Ward”]
→ 202 class BandCenter(BaseFeaturizer):
203 “”"
204 Estimation of absolute position of band center using electronegativity.
205
206 Features
207 - Band center
208 “”"
210 magpie_data = MagpieData()
File /data/mamba/envs/pymatgen/lib/python3.12/site-packages/matminer/featurizers/composition/element.py:210, in BandCenter()
202 class BandCenter(BaseFeaturizer):
203 “”"
204 Estimation of absolute position of band center using electronegativity.
205
206 Features
207 - Band center
208 “”"
→ 210 magpie_data = MagpieData()
211 deml_data = DemlData()
213 def featurize(self, comp):
File /data/mamba/envs/pymatgen/lib/python3.12/site-packages/matminer/utils/data.py:217, in MagpieData.init(self)
215 except (ValueError, IndexError):
216 prop_value = float(“NaN”)
→ 217 self.all_elemental_props[descriptor_name][Element.from_Z(atomic_no).symbol] = prop_value
File /data/mamba/envs/pymatgen/lib/python3.12/site-packages/pymatgen/core/periodic_table.py:526, in ElementBase.from_Z(Z, A)
524 if data[“Atomic no”] == Z and atomic_mass_num == A:
525 return Element(sym)
→ 526 raise ValueError(f"Unexpected atomic number {Z=}")
ValueError: Unexpected atomic number Z=119
`