HgMg2Pd
HgMg2Pd is a semiconducting intermetallic alloy containing mercury, magnesium, and palladium that is primarily studied for its structural properties.
About HgMg2Pd
HgMg2Pd is a semiconducting intermetallic compound belonging to the class of platinum-group alloy catalysts. Its composition, featuring mercury, magnesium, and palladium, places it in a specialized category of materials often investigated for their unique electronic configurations and catalytic potential. The compound exhibits a complex structural landscape, with multiple reported configurations across various databases.
Despite its interest as a semiconductor, HgMg2Pd is characterized by its position above the thermodynamic hull, suggesting it is a metastable phase. This metastability is a critical factor for researchers evaluating its synthesis pathways and long-term stability in high-performance catalytic applications where structural integrity is paramount.
Key Properties
Cross-validated computational properties for HgMg2Pd, aggregated across 3 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.
Reported Structures
Lowest-energy structures reported for HgMg2Pd, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.52 | 1.4060 | -1.244 | 0.55 |
| Cm (No. 8) | — | — | — | — | — |
| — | — | — | — | — | 7.50 |
| — | — | — | — | — | 6.25 |
Applications
Where HgMg2Pd is used.
Frequently Asked Questions
Common questions about HgMg2Pd, answered from cross-validated data.
What is HgMg2Pd?
HgMg2Pd is a semiconducting intermetallic alloy containing mercury, magnesium, and palladium that is primarily studied for its structural properties.
What is HgMg2Pd used for?
What is the band gap of HgMg2Pd?
Is HgMg2Pd a metal, semiconductor, or insulator?
Is HgMg2Pd thermodynamically stable?
What is the crystal structure of HgMg2Pd?
What is the density of HgMg2Pd?
How many polymorphs of HgMg2Pd are known?
What elements does HgMg2Pd contain?
Where does the data for HgMg2Pd come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, HgMg2Pd stands out for its semiconducting electronic character, contrasting with many of the more metallic or highly conductive siblings like BaPd or LaRh. While many members of this class are studied for their robust stability, HgMg2Pd occupies a more precarious thermodynamic state, making it a distinct subject for studies focused on phase formation and structural evolution compared to more stable counterparts like GeRu.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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