Ag1Pd2Sc1
Ag1Pd2Sc1 is a semiconducting ternary alloy belonging to the platinum-group catalyst class, noted for its structural complexity and metastable thermodynamic state.
About Ag1Pd2Sc1
Ag1Pd2Sc1 is a specialized ternary alloy within the platinum-group catalyst family. Characterized by its semiconducting electronic behavior, this material represents a complex structural arrangement that distinguishes it from traditional metallic conductors. Its unique electronic profile suggests potential for niche catalytic applications where specific charge transport properties are required.
While the compound exhibits a diverse range of reported structural variations, it is currently categorized as thermodynamically unstable relative to its constituent elements. This metastable nature makes it a subject of significant interest for researchers investigating phase stability and the kinetics of formation in complex intermetallic systems.
Key Properties
Cross-validated computational properties for Ag1Pd2Sc1, 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 Ag1Pd2Sc1, 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 | 0.19 | 2.0198 | -18.313 | 0.71 |
| Fm-3m (No. 225) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ag1Pd2Sc1 is used.
Frequently Asked Questions
Common questions about Ag1Pd2Sc1, answered from cross-validated data.
What is Ag1Pd2Sc1?
Ag1Pd2Sc1 is a semiconducting ternary alloy belonging to the platinum-group catalyst class, noted for its structural complexity and metastable thermodynamic state.
What is Ag1Pd2Sc1 used for?
What is the band gap of Ag1Pd2Sc1?
Is Ag1Pd2Sc1 a metal, semiconductor, or insulator?
Is Ag1Pd2Sc1 thermodynamically stable?
What is the crystal structure of Ag1Pd2Sc1?
What is the density of Ag1Pd2Sc1?
How many polymorphs of Ag1Pd2Sc1 are known?
What elements does Ag1Pd2Sc1 contain?
Where does the data for Ag1Pd2Sc1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, Ag1Pd2Sc1 stands out for its semiconducting nature, which contrasts with the typically metallic behavior found in siblings like BaPd or LaRh. While many members of this class are explored for their robust catalytic surfaces, the structural complexity and metastable state of this compound place it in a distinct category compared to more stable, well-characterized intermetallics like GeRu or P3Ru.
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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