Ag1Ca2Pd1
Ag1Ca2Pd1 is a metastable, semimetallic intermetallic alloy composed of silver, calcium, and palladium used in materials science research.
About Ag1Ca2Pd1
Ag1Ca2Pd1 is a complex intermetallic compound classified within the platinum-group alloy family. It exhibits a semimetallic electronic character, placing it in a distinct regime between traditional conductors and insulators, which influences its potential for specialized catalytic surface interactions. As a metastable phase, this material represents a unique structural configuration that requires precise synthesis conditions. Its existence within a broad range of reported structural variations highlights its significance in fundamental materials research for developing advanced metallic catalysts.
Key Properties
Cross-validated computational properties for Ag1Ca2Pd1, 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 Ag1Ca2Pd1, 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 | 0.0339 | -15.060 | 5.24 |
| Immm (No. 71) | orthorhombic | 0.01 | 1.4402 | -13.654 | 0.39 |
| Imm2 (No. 44) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
Applications
Where Ag1Ca2Pd1 is used.
Frequently Asked Questions
Common questions about Ag1Ca2Pd1, answered from cross-validated data.
What is Ag1Ca2Pd1?
Ag1Ca2Pd1 is a metastable, semimetallic intermetallic alloy composed of silver, calcium, and palladium used in materials science research.
What is Ag1Ca2Pd1 used for?
What is the band gap of Ag1Ca2Pd1?
Is Ag1Ca2Pd1 a metal, semiconductor, or insulator?
Is Ag1Ca2Pd1 thermodynamically stable?
What is the crystal structure of Ag1Ca2Pd1?
What is the density of Ag1Ca2Pd1?
How many polymorphs of Ag1Ca2Pd1 are known?
What elements does Ag1Ca2Pd1 contain?
Where does the data for Ag1Ca2Pd1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, Ag1Ca2Pd1 stands out for its specific stoichiometry compared to more conventional binary systems like BaPd or LaRh. While many members of this class are explored for their robust stability, Ag1Ca2Pd1 occupies a more delicate metastable state, offering researchers a different structural pathway for tuning electronic properties compared to the more common transition metal-heavy compounds 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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