Ga3Pt5
Ga3Pt5 is a metallic gallium-platinum alloy characterized by its potential for use in catalytic applications and its structural diversity.
About Ga3Pt5
Ga3Pt5 is a metallic intermetallic compound composed of gallium and platinum. As a member of the platinum-group alloy catalyst class, it exhibits the characteristic electronic behavior of a conductor, lacking a band gap and showing significant potential for catalytic applications. Its stability profile suggests it is a viable candidate for synthesis and experimental characterization.
With multiple reported structures across various databases, this compound is a subject of interest for researchers studying the structural diversity of platinum-rich alloys. Its ability to maintain structural integrity while providing active sites makes it a relevant material for advanced catalytic processes where noble metal efficiency is critical.
Key Properties
Cross-validated computational properties for Ga3Pt5, 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 Ga3Pt5. 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 Ga3Pt5, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0025 | -5.485 | 16.51 |
| Cmmm (No. 65) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 5.59 |
| No. 0 | unknown | — | — | — | 5.56 |
| Cmmm (No. 65) | — | — | — | — | — |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 16.03 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 17.44 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 16.51 |
| Cmmm (No. 65) | — | — | — | — | — |
Applications
Where Ga3Pt5 is used.
Frequently Asked Questions
Common questions about Ga3Pt5, answered from cross-validated data.
What is Ga3Pt5?
Ga3Pt5 is a metallic gallium-platinum alloy characterized by its potential for use in catalytic applications and its structural diversity.
What is Ga3Pt5 used for?
What is the band gap of Ga3Pt5?
Is Ga3Pt5 a metal, semiconductor, or insulator?
Is Ga3Pt5 thermodynamically stable?
What is the crystal structure of Ga3Pt5?
What is the density of Ga3Pt5?
How many polymorphs of Ga3Pt5 are known?
What elements does Ga3Pt5 contain?
Where does the data for Ga3Pt5 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse landscape of platinum-group alloys, Ga3Pt5 occupies a distinct niche compared to compounds like Ga2Ru. While many members of this class are investigated for their specific electronic configurations, Ga3Pt5 stands out for its structural versatility, benefiting from a robust set of reported configurations that facilitate deeper study into its catalytic performance relative to other binary 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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- mpaloe — Data from mpaloe.
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