Ga2Pt
Ga2Pt is a stable, metallic intermetallic compound composed of gallium and platinum that is primarily studied for its potential as a catalyst.
About Ga2Pt
Ga2Pt is a thermodynamically stable intermetallic compound within the platinum-group alloy catalyst family. As a metallic phase, it lacks a band gap, facilitating efficient electron transport which is critical for its performance in catalytic processes.
This material is recognized for its structural versatility, evidenced by numerous reported configurations across scientific databases. Its stability on the convex hull makes it a reliable subject for research into high-performance catalytic materials for industrial chemical transformations.
Key Properties
Cross-validated computational properties for Ga2Pt, 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 Ga2Pt. 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 Ga2Pt, 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 | 0.0000 | -4.623 | 10.62 |
| I41/acd (No. 142) | tetragonal | 0.00 | 0.0092 | -4.614 | 11.43 |
| P21 (No. 4) | Monoclinic | — | — | — | 8.64 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.98 |
| P21 (No. 4) | Monoclinic | — | — | — | 8.86 |
| P21 (No. 4) | Monoclinic | — | — | — | 7.56 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.80 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.32 |
| Fm-3m (No. 225) | Cubic | — | — | — | 11.00 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.97 |
| Fm-3m (No. 225) | Cubic | — | — | — | 10.28 |
| C2 (No. 5) | Monoclinic | — | — | — | 6.59 |
Applications
Where Ga2Pt is used.
Frequently Asked Questions
Common questions about Ga2Pt, answered from cross-validated data.
What is Ga2Pt?
Ga2Pt is a stable, metallic intermetallic compound composed of gallium and platinum that is primarily studied for its potential as a catalyst.
What is Ga2Pt used for?
What is the band gap of Ga2Pt?
Is Ga2Pt a metal, semiconductor, or insulator?
Is Ga2Pt thermodynamically stable?
What is the crystal structure of Ga2Pt?
What is the density of Ga2Pt?
How many polymorphs of Ga2Pt are known?
What elements does Ga2Pt contain?
Where does the data for Ga2Pt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse group of platinum-group alloys, Ga2Pt distinguishes itself through its specific stoichiometry compared to siblings like Ga2Ru. While many members of this class are explored for their unique electronic and structural properties, Ga2Pt stands out as a robust, stable metallic phase that provides a distinct alternative to other transition metal combinations such as As2Pt or BaPd in catalytic research.
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.
- 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).
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