Ag1Li1Pd2
Ag1Li1Pd2 is a semiconducting ternary alloy composed of silver, lithium, and palladium that is primarily studied for its structural complexity and potential catalytic functionality.
About Ag1Li1Pd2
Ag1Li1Pd2 is a complex ternary alloy belonging to the class of platinum-group metal catalysts. Characterized by its semiconducting electronic nature, this material represents a unique intersection of noble metals and alkali components, offering a distinct electronic environment compared to pure transition metal systems.
While this compound is currently identified as being above the thermodynamic hull, its existence across multiple reported structures highlights the ongoing interest in exploring metastable phases within palladium-rich alloy systems. Its potential utility lies in specialized catalytic applications where specific electronic band structures are required to drive surface reactions.
Key Properties
Cross-validated computational properties for Ag1Li1Pd2, 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 Ag1Li1Pd2, 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 | 0.27 | 1.9552 | -15.708 | 0.64 |
| C2/m (No. 12) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Applications
Where Ag1Li1Pd2 is used.
Frequently Asked Questions
Common questions about Ag1Li1Pd2, answered from cross-validated data.
What is Ag1Li1Pd2?
Ag1Li1Pd2 is a semiconducting ternary alloy composed of silver, lithium, and palladium that is primarily studied for its structural complexity and potential catalytic functionality.
What is Ag1Li1Pd2 used for?
What is the band gap of Ag1Li1Pd2?
Is Ag1Li1Pd2 a metal, semiconductor, or insulator?
Is Ag1Li1Pd2 thermodynamically stable?
What is the crystal structure of Ag1Li1Pd2?
What is the density of Ag1Li1Pd2?
How many polymorphs of Ag1Li1Pd2 are known?
What elements does Ag1Li1Pd2 contain?
Where does the data for Ag1Li1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloy catalysts, Ag1Li1Pd2 occupies a niche position compared to more stable or commonly studied binary systems like BaPd or GeRu. While many of its peers exhibit robust thermodynamic stability, this compound represents a more exotic, metastable phase that challenges traditional alloying trends, serving as a subject of interest for researchers investigating non-equilibrium catalytic materials.
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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