Li1Ru2V1
Li1Ru2V1 is a semiconducting ternary alloy containing lithium, ruthenium, and vanadium that is studied for its structural properties within the platinum-group catalyst family.
About Li1Ru2V1
Li1Ru2V1 is a complex ternary compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a unique intersection of lithium and transition metal chemistry that is of interest for fundamental studies in solid-state physics and materials design.
While this compound is currently identified as being above the thermodynamic hull, it remains a subject of interest due to the extensive structural data available for this specific stoichiometry. Its existence within a large set of reported structures highlights the ongoing exploration into how lithium incorporation modifies the catalytic potential of ruthenium-vanadium systems.
Key Properties
Cross-validated computational properties for Li1Ru2V1, aggregated across 2 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 Li1Ru2V1, 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 | 0.31 | 2.8828 | -14.125 | 0.62 |
| Cmm2 (No. 35) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Li1Ru2V1 is used.
Frequently Asked Questions
Common questions about Li1Ru2V1, answered from cross-validated data.
What is Li1Ru2V1?
Li1Ru2V1 is a semiconducting ternary alloy containing lithium, ruthenium, and vanadium that is studied for its structural properties within the platinum-group catalyst family.
What is Li1Ru2V1 used for?
What is the band gap of Li1Ru2V1?
Is Li1Ru2V1 a metal, semiconductor, or insulator?
Is Li1Ru2V1 thermodynamically stable?
What is the crystal structure of Li1Ru2V1?
What is the density of Li1Ru2V1?
How many polymorphs of Li1Ru2V1 are known?
What elements does Li1Ru2V1 contain?
Where does the data for Li1Ru2V1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or widely utilized members of the platinum-group alloy class such as GeRu or Ga2Ru, Li1Ru2V1 occupies a more precarious thermodynamic position. While siblings like As2Pt or IrSe2 are often investigated for their robust catalytic performance, Li1Ru2V1 serves as a specialized case study in how ternary alloying can shift electronic properties into the semiconducting regime.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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