GaPt
GaPt is a thermodynamically stable, metallic alloy composed of gallium and platinum that is primarily utilized in catalytic research.
About GaPt
GaPt is a metallic platinum-group alloy that occupies a stable position on the thermodynamic convex hull. Its robust structural integrity and electronic properties make it a subject of significant interest in materials science, particularly for applications requiring durable catalytic surfaces.
With a high degree of structural data available across multiple databases, this compound serves as a well-characterized model for understanding the interactions between gallium and platinum. Its metallic nature facilitates efficient electron transport, which is a critical requirement for advanced catalytic processes.
Key Properties
Cross-validated computational properties for GaPt, aggregated across 4 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 GaPt. 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 GaPt, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 0.00 | 0.0000 | -5.180 | 14.75 |
| P213 (No. 198) | cubic | 0.00 | 0.0000 | -0.587 | — |
| — | — | 0.00 | 0.0000 | -0.657 | — |
| — | — | 0.00 | 0.1458 | -0.512 | — |
| — | — | 0.00 | 0.1710 | -0.486 | — |
| — | — | 0.00 | 0.1735 | -0.484 | — |
| — | — | 0.00 | 0.1790 | -0.478 | — |
| — | — | 0.00 | 0.2810 | -0.376 | — |
| — | — | 0.00 | 0.4754 | -0.182 | — |
| P-1 (No. 2) | triclinic | — | — | — | 16.06 |
| Cm (No. 8) | monoclinic | — | — | — | 10.66 |
| C2 (No. 5) | monoclinic | — | — | — | 9.96 |
Applications
Where GaPt is used.
Frequently Asked Questions
Common questions about GaPt, answered from cross-validated data.
What is GaPt?
GaPt is a thermodynamically stable, metallic alloy composed of gallium and platinum that is primarily utilized in catalytic research.
What is GaPt used for?
What is the band gap of GaPt?
Is GaPt a metal, semiconductor, or insulator?
Is GaPt thermodynamically stable?
What is the crystal structure of GaPt?
What is the density of GaPt?
How many polymorphs of GaPt are known?
What elements does GaPt contain?
Where does the data for GaPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, GaPt stands out as a highly stable intermetallic compound. Unlike more complex or less stable members of the class such as As2Pt or Ga2Ru, GaPt exhibits a straightforward structural profile that makes it a reliable reference point for benchmarking the catalytic performance of binary metal systems.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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