Hg1Pd2Sc1
Hg1Pd2Sc1 is a semiconducting intermetallic alloy composed of mercury, palladium, and scandium that is primarily studied for its structural properties and potential catalytic applications.
About Hg1Pd2Sc1
Hg1Pd2Sc1 is a specialized intermetallic compound within the platinum-group alloy catalyst class. Characterized by its semiconducting electronic nature, this material represents a unique intersection of mercury, palladium, and scandium, offering distinct bonding environments that differentiate it from standard metallic alloys. Despite its potential utility, the compound is identified as being above the thermodynamic hull, suggesting a metastable state that requires careful synthesis and characterization. Its existence in multiple reported structures highlights the complexity of its phase space and the ongoing interest in its structural behavior. As a member of this catalytic family, it is studied for its potential in surface-mediated chemical transformations where electronic properties play a critical role in reaction pathways.
Key Properties
Cross-validated computational properties for Hg1Pd2Sc1, 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 Hg1Pd2Sc1, 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 | 0.44 | 1.7043 | -3.201 | 0.85 |
| Pmmm (No. 47) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where Hg1Pd2Sc1 is used.
Frequently Asked Questions
Common questions about Hg1Pd2Sc1, answered from cross-validated data.
What is Hg1Pd2Sc1?
Hg1Pd2Sc1 is a semiconducting intermetallic alloy composed of mercury, palladium, and scandium that is primarily studied for its structural properties and potential catalytic applications.
What is Hg1Pd2Sc1 used for?
What is the band gap of Hg1Pd2Sc1?
Is Hg1Pd2Sc1 a metal, semiconductor, or insulator?
Is Hg1Pd2Sc1 thermodynamically stable?
What is the crystal structure of Hg1Pd2Sc1?
What is the density of Hg1Pd2Sc1?
How many polymorphs of Hg1Pd2Sc1 are known?
What elements does Hg1Pd2Sc1 contain?
Where does the data for Hg1Pd2Sc1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader family of platinum-group alloys, Hg1Pd2Sc1 occupies a niche position compared to more stable or common intermetallics like GeRu or LaRh. While many of these siblings exhibit robust metallic behavior and high thermodynamic stability, Hg1Pd2Sc1 is distinguished by its semiconducting character and its status as a metastable phase, making it a subject of fundamental interest for researchers exploring non-traditional catalytic architectures.
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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