LiRuZn2
LiRuZn2 is a semimetallic ternary alloy containing lithium, ruthenium, and zinc that is primarily studied for its electronic properties within the platinum-group catalyst family.
About LiRuZn2
LiRuZn2 is a complex ternary intermetallic compound categorized within the platinum-group alloy catalyst family. Characterized by a near-zero-gap electronic structure, it exhibits semimetallic behavior that is of significant interest for fundamental studies in solid-state physics and catalytic surface science.
While this material is documented across multiple structural databases, it exists in a metastable state above the thermodynamic hull. Its synthesis and stability are subjects of ongoing investigation, as researchers seek to understand the role of lithium in modifying the electronic environment of ruthenium-zinc frameworks.
Key Properties
Cross-validated computational properties for LiRuZn2, 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.
Reported Structures
Lowest-energy structures reported for LiRuZn2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.05 | 1.9407 | -1.645 | 0.48 |
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Applications
Where LiRuZn2 is used.
Frequently Asked Questions
Common questions about LiRuZn2, answered from cross-validated data.
What is LiRuZn2?
LiRuZn2 is a semimetallic ternary alloy containing lithium, ruthenium, and zinc that is primarily studied for its electronic properties within the platinum-group catalyst family.
What is LiRuZn2 used for?
What is the band gap of LiRuZn2?
Is LiRuZn2 a metal, semiconductor, or insulator?
Is LiRuZn2 thermodynamically stable?
What is the crystal structure of LiRuZn2?
What is the density of LiRuZn2?
How many polymorphs of LiRuZn2 are known?
What elements does LiRuZn2 contain?
Where does the data for LiRuZn2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloys, LiRuZn2 occupies a unique niche compared to more stable, binary counterparts like GeRu or Ga2Ru. While many members of this group are prized for their structural robustness, LiRuZn2 represents a more exotic, metastable phase that challenges conventional alloying paradigms.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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