AgPt
AgPt is a thermodynamically stable, metallic intermetallic alloy of silver and platinum used in catalytic applications.
About AgPt
AgPt is a metallic alloy composed of silver and platinum that sits firmly on the convex hull, indicating high thermodynamic stability. Its electronic character is defined by its metallic nature, lacking a band gap, which facilitates efficient charge transfer in electrochemical environments. The compound is supported by a significant body of structural data, reflecting its importance in materials science research. It is primarily utilized in the development of advanced catalytic systems where the synergistic effects of silver and platinum can be leveraged for specific chemical transformations. Its robust stability makes it a reliable candidate for long-term applications in demanding catalytic processes.
Key Properties
Cross-validated computational properties for AgPt, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of AgPt. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for AgPt, 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. |
|---|---|---|---|---|---|
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0000 | -36.504 | 15.64 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0031 | -36.501 | 15.66 |
| P-1 (No. 2) | Triclinic | — | — | — | 10.28 |
| R-3m (No. 166) | Trigonal | — | — | — | 15.25 |
| R-3m (No. 166) | Trigonal | — | — | — | 16.38 |
| R-3m (No. 166) | Trigonal | — | — | — | 15.71 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 15.15 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 16.46 |
| P-6m2 (No. 187) | Hexagonal | — | — | — | 15.66 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 14.35 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 17.16 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 15.57 |
Applications
Where AgPt is used.
Frequently Asked Questions
Common questions about AgPt, answered from cross-validated data.
What is AgPt?
AgPt is a thermodynamically stable, metallic intermetallic alloy of silver and platinum used in catalytic applications.
What is AgPt used for?
What is the band gap of AgPt?
Is AgPt a metal, semiconductor, or insulator?
Is AgPt thermodynamically stable?
What is the crystal structure of AgPt?
What is the density of AgPt?
How many polymorphs of AgPt are known?
What elements does AgPt contain?
Where does the data for AgPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse class of platinum-group alloys, AgPt distinguishes itself through its exceptional thermodynamic stability compared to more complex or metastable counterparts like As2Pt or Ga2Ru. While many members of this class are explored for their specific electronic properties, AgPt remains a fundamental reference point for binary noble metal systems, offering a balanced structural profile that contrasts with the more specialized or volatile configurations found in other platinum-group intermetallics.
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).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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