Ag1Mg2Pd1
Ag1Mg2Pd1 is a stable, semimetallic intermetallic alloy containing silver, magnesium, and palladium.
About Ag1Mg2Pd1
Ag1Mg2Pd1 is a thermodynamically stable intermetallic compound belonging to the platinum-group alloy catalyst class. Its electronic structure is characterized as near-zero-gap, placing it in the semimetallic regime which often influences its charge transport and surface reactivity properties.
As a member of a well-documented family of materials, this compound is of significant interest for its structural robustness. Its position on the convex hull suggests a high degree of stability, making it a reliable candidate for fundamental studies in alloy behavior and potential catalytic applications where structural integrity is paramount.
Key Properties
Cross-validated computational properties for Ag1Mg2Pd1, 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 Ag1Mg2Pd1, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0000 | -3.302 | 6.48 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0085 | -3.293 | 6.31 |
| Immm (No. 71) | orthorhombic | 0.03 | 1.5871 | -1.714 | 0.45 |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ag1Mg2Pd1 is used.
Frequently Asked Questions
Common questions about Ag1Mg2Pd1, answered from cross-validated data.
What is Ag1Mg2Pd1?
Ag1Mg2Pd1 is a stable, semimetallic intermetallic alloy containing silver, magnesium, and palladium.
What is Ag1Mg2Pd1 used for?
What is the band gap of Ag1Mg2Pd1?
Is Ag1Mg2Pd1 a metal, semiconductor, or insulator?
Is Ag1Mg2Pd1 thermodynamically stable?
What is the crystal structure of Ag1Mg2Pd1?
What is the density of Ag1Mg2Pd1?
How many polymorphs of Ag1Mg2Pd1 are known?
What elements does Ag1Mg2Pd1 contain?
Where does the data for Ag1Mg2Pd1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, Ag1Mg2Pd1 distinguishes itself through its specific ternary composition compared to binary counterparts like BaPd or LaRh. While many members of this group are optimized for specific electronic or magnetic properties, Ag1Mg2Pd1 stands out as a stable, semimetallic phase that bridges the gap between simple binary intermetallics and more complex catalytic 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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