LuH3
lutetium trihydride
LuH3 is a thermodynamically stable, semimetallic lutetium hydride known for its complex structural behavior.
About lutetium trihydride
Lutetium trihydride is a stable binary hydride that sits prominently on the convex hull, indicating significant thermodynamic robustness. Its electronic character is defined as near-zero-gap, placing it in the semimetallic regime which distinguishes it from more insulating rare-earth hydrides.
With a high degree of structural diversity reported across multiple databases, this compound serves as a critical subject for studying hydrogen-metal interactions. Its stability and electronic nature make it a compelling candidate for fundamental investigations into the behavior of hydrogen in high-density metallic environments.
Key Properties
Cross-validated computational properties for lutetium trihydride, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Applications
Where lutetium trihydride is used.
Frequently Asked Questions
Common questions about lutetium trihydride, answered from cross-validated data.
What is LuH3?
LuH3 is a thermodynamically stable, semimetallic lutetium hydride known for its complex structural behavior.
What is LuH3 used for?
What is the band gap of LuH3?
Is LuH3 a metal, semiconductor, or insulator?
Is LuH3 thermodynamically stable?
How many polymorphs of LuH3 are known?
What elements does LuH3 contain?
Where does the data for LuH3 come from?
How It Compares
As a standalone member of the rare-earth trihydride family, LuH3 represents a baseline for understanding how the lanthanide contraction influences the stability and electronic structure of metal-hydrogen systems compared to lighter counterparts.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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