Disentangling Structural Patterns in Quaternary Germanides with Materials Informatics and Exploratory Synthesis: <i>RE</i> <sub>4</sub> IrInGe <sub>4</sub> ( <i>RE</i> = Y, Ce–Nd, Sm, Gd, Ho–Er) Series
-type, a structure map was developed by using the PLS-DA technique. In the PLS-DA loadings, the radii of the elements and valence electron counts made the top contributions to the classification of these two types. Further, to understand the structural evolution, we analyzed the germanides using materials informatics tools and proposed a mechanism using their coordination environments.
Authors
- Anton O. Oliynyk (ORCID: https://orcid.org/0000-0003-0732-7340)
- Danila Shiryaev (ORCID: https://orcid.org/0009-0005-3441-8266)
- Balaranjan Selvaratnam
- Emil I. Jaffal
- Anna Ponomarev
Institutions
- The Graduate Center, CUNY (US)
- City University of New York (US)
- Hunter College (US)
- Division of Chemistry (US)
Publication Details
- Journal
- Inorganic Chemistry
- Published
- 2026-03-31
- DOI
- https://doi.org/10.1021/acs.inorgchem.5c05813
- Primary Topic
- Rare-earth and actinide compounds
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Hunter College