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cond-mat.mtrl-sci2025
Towards MatCore: A Unified Metadata Standard for Materials Science
Jane Greenberg, Pamela Boveda-Aguirre, John Allison +18
The materials science community seeks to support the FAIR principles for computational simulation research. The MatCore Project was recently launched to address this need, with the…
cond-mat.mtrl-sci2025
Mapping the Configuration Space of Half-Heusler Compounds via Subspace Identification for Thermoelectric Materials Discovery
Angela Pak, Kamil Ciesielski, Maria Wróblewska +2
Half-Heuslers are a promising family for thermoelectric (TE) applications, yet only a small fraction of their potential chemistries has been experimentally explored. In this work,…
cond-mat.mtrl-sci2024
Continuous alloying between rocksalt and half-Heusler structures drives metal-semiconductor transition in ErNiSb
Maria Wróblewska, Eric S. Toberer, Kamil M. Ciesielski
XYZ half-Heusler phases are often described as a XZ rock salt sublattice with an interstitial Y atom. However, transport across a solid solution between rock salt and half-Heusler…