Au1Li1Pd2
Au1Li1Pd2 is a metastable, semiconducting ternary alloy composed of gold, lithium, and palladium used in advanced catalytic research.
About Au1Li1Pd2
Au1Li1Pd2 is a specialized ternary alloy belonging to the platinum-group catalyst class. Characterized by its semiconducting electronic nature, this material represents a complex structural arrangement that bridges the gap between traditional metallic catalysts and non-metallic semiconductors.
As a metastable phase, this compound is of significant interest for researchers investigating surface reactivity and atomic-scale structural stability. Its unique composition of gold, lithium, and palladium allows it to serve as a niche candidate for catalytic processes where specific electronic tuning is required.
Key Properties
Cross-validated computational properties for Au1Li1Pd2, 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 Au1Li1Pd2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0253 | -25.015 | 10.94 |
| Immm (No. 71) | orthorhombic | 0.16 | 2.0218 | -23.019 | 0.87 |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
Applications
Where Au1Li1Pd2 is used.
Frequently Asked Questions
Common questions about Au1Li1Pd2, answered from cross-validated data.
What is Au1Li1Pd2?
Au1Li1Pd2 is a metastable, semiconducting ternary alloy composed of gold, lithium, and palladium used in advanced catalytic research.
What is Au1Li1Pd2 used for?
What is the band gap of Au1Li1Pd2?
Is Au1Li1Pd2 a metal, semiconductor, or insulator?
Is Au1Li1Pd2 thermodynamically stable?
What is the crystal structure of Au1Li1Pd2?
What is the density of Au1Li1Pd2?
How many polymorphs of Au1Li1Pd2 are known?
What elements does Au1Li1Pd2 contain?
Where does the data for Au1Li1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Au1Li1Pd2 occupies a distinct position compared to more conventional binary systems like BaPd or GeRu. While many of its class members exhibit metallic behavior, the semiconducting character of this ternary compound sets it apart, offering a different electronic landscape for potential catalytic interactions than the more standard intermetallic phases like LaRh or As2Pt.
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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