HgPt
HgPt is a metallic intermetallic alloy of mercury and platinum that serves as a research-focused material within the platinum-group catalyst class.
About HgPt
HgPt is a metallic alloy composed of mercury and platinum, belonging to the broader family of platinum-group alloy catalysts. Its electronic structure is characterized by metallic conductivity, reflecting the typical behavior of heavy-metal intermetallic compounds used in specialized catalytic studies.
While it exhibits significant structural diversity with numerous reported crystalline arrangements, the compound is noted for being thermodynamically metastable. This positioning above the convex hull suggests that its synthesis and stabilization are highly dependent on specific experimental conditions, making it a subject of interest for fundamental materials science research.
Key Properties
Cross-validated computational properties for HgPt, 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 HgPt. 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 HgPt, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.1061 | 0.079 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1157 | -50.389 | 18.02 |
| — | — | 0.00 | 0.1563 | 0.129 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1702 | 0.170 | — |
| — | — | 0.00 | 0.1731 | 0.145 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1883 | 0.188 | — |
| — | — | 0.00 | 0.1920 | 0.164 | — |
| — | — | 0.00 | 0.3553 | 0.328 | — |
| — | — | 0.00 | 0.8540 | 0.826 | — |
| — | — | 0.00 | 0.8617 | 0.834 | — |
| Cm (No. 8) | monoclinic | — | — | — | 17.89 |
| P-1 (No. 2) | triclinic | — | — | — | 16.61 |
Applications
Where HgPt is used.
Frequently Asked Questions
Common questions about HgPt, answered from cross-validated data.
What is HgPt?
HgPt is a metallic intermetallic alloy of mercury and platinum that serves as a research-focused material within the platinum-group catalyst class.
What is HgPt used for?
What is the band gap of HgPt?
Is HgPt a metal, semiconductor, or insulator?
Is HgPt thermodynamically stable?
What is the crystal structure of HgPt?
What is the density of HgPt?
How many polymorphs of HgPt are known?
What elements does HgPt contain?
Where does the data for HgPt come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or commercially established platinum-group alloys such as As2Pt or Ga2Ru, HgPt occupies a more precarious thermodynamic state. While many of its siblings in the class are engineered for robust performance in industrial catalysis, HgPt is primarily studied for its unique structural configurations and the complex interactions between mercury and platinum within the lattice.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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