Hg1Mn1Pd2
Hg1Mn1Pd2 is a semiconducting ternary alloy composed of mercury, manganese, and palladium that is primarily studied for its structural complexity within the platinum-group catalyst family.
About Hg1Mn1Pd2
Hg1Mn1Pd2 is a specialized ternary alloy within the platinum-group catalyst class. Characterized by its semiconducting electronic behavior, this material represents a unique intersection of mercury, manganese, and palladium chemistry. Its structural landscape is notably diverse, with numerous reported configurations identified in materials databases.
Despite its complex structural variety, the compound exists in a thermodynamically metastable state above the hull. This positioning suggests that while it can be synthesized and studied in specific laboratory conditions, it remains a challenging target for bulk stabilization compared to more robust, ground-state intermetallic phases.
Key Properties
Cross-validated computational properties for Hg1Mn1Pd2, aggregated across 2 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 Hg1Mn1Pd2, 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 | 0.37 | 1.7421 | -3.412 | 0.87 |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
Applications
Where Hg1Mn1Pd2 is used.
Frequently Asked Questions
Common questions about Hg1Mn1Pd2, answered from cross-validated data.
What is Hg1Mn1Pd2?
Hg1Mn1Pd2 is a semiconducting ternary alloy composed of mercury, manganese, and palladium that is primarily studied for its structural complexity within the platinum-group catalyst family.
What is Hg1Mn1Pd2 used for?
What is the band gap of Hg1Mn1Pd2?
Is Hg1Mn1Pd2 a metal, semiconductor, or insulator?
Is Hg1Mn1Pd2 thermodynamically stable?
What is the crystal structure of Hg1Mn1Pd2?
What is the density of Hg1Mn1Pd2?
How many polymorphs of Hg1Mn1Pd2 are known?
What elements does Hg1Mn1Pd2 contain?
Where does the data for Hg1Mn1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader class of platinum-group alloys, Hg1Mn1Pd2 occupies a distinct niche compared to more stable, highly ordered counterparts like As2Pt or GeRu. While many of its siblings exhibit well-defined, stable crystalline lattices, this mercury-containing alloy is distinguished by its metastable nature and semiconducting properties, setting it apart from the typical metallic behavior seen in phases like BaPd.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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