Ag1Na1Pd2
Ag1Na1Pd2 is a semimetallic, metastable ternary alloy composed of silver, sodium, and palladium used in advanced catalytic research.
About Ag1Na1Pd2
Ag1Na1Pd2 is a complex intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by a near-zero-gap electronic structure, it functions as a semimetallic material, bridging the gap between traditional metallic conductors and semiconductors in catalytic applications.
Despite its existence in structural databases, the compound is noted for being thermodynamically unstable, sitting above the hull. This metastability suggests unique synthetic challenges and potential for specialized use in high-energy catalytic processes where rapid phase transformation or surface reactivity is required.
Key Properties
Cross-validated computational properties for Ag1Na1Pd2, 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 Ag1Na1Pd2, 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 | 0.08 | 1.7365 | -16.121 | 0.55 |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where Ag1Na1Pd2 is used.
Frequently Asked Questions
Common questions about Ag1Na1Pd2, answered from cross-validated data.
What is Ag1Na1Pd2?
Ag1Na1Pd2 is a semimetallic, metastable ternary alloy composed of silver, sodium, and palladium used in advanced catalytic research.
What is Ag1Na1Pd2 used for?
What is the band gap of Ag1Na1Pd2?
Is Ag1Na1Pd2 a metal, semiconductor, or insulator?
Is Ag1Na1Pd2 thermodynamically stable?
What is the crystal structure of Ag1Na1Pd2?
What is the density of Ag1Na1Pd2?
How many polymorphs of Ag1Na1Pd2 are known?
What elements does Ag1Na1Pd2 contain?
Where does the data for Ag1Na1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Ag1Na1Pd2 occupies a distinct niche compared to more stable, highly ordered systems like BaPd or GeRu. While many of its siblings exhibit robust thermodynamic stability, Ag1Na1Pd2 is distinguished by its metastable nature and specific electronic character, making it a subject of interest for researchers studying the limits of phase formation in complex ternary metallic systems.
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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