HgPdSc2
HgPdSc2 is a semiconducting ternary intermetallic compound containing mercury, palladium, and scandium that is primarily studied for its structural properties.
About HgPdSc2
HgPdSc2 is a complex ternary alloy featuring mercury, palladium, and scandium. It is categorized within the platinum-group alloy catalysts, a class of materials frequently investigated for their unique electronic configurations and potential for specialized chemical reactivity. Its semiconducting nature distinguishes it from the metallic behavior typical of many other platinum-group alloys.
While data regarding its structural configurations is available across multiple databases, the compound is identified as being above the thermodynamic hull. This suggests that it may be inherently unstable under standard conditions, making it a subject of significant interest for researchers studying phase stability and the synthesis of metastable intermetallic phases.
Key Properties
Cross-validated computational properties for HgPdSc2, 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 HgPdSc2, 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 | 0.00 | 2.3147 | -2.891 | 0.59 |
| F-43m (No. 216) | — | 0.46 | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where HgPdSc2 is used.
Frequently Asked Questions
Common questions about HgPdSc2, answered from cross-validated data.
What is HgPdSc2?
HgPdSc2 is a semiconducting ternary intermetallic compound containing mercury, palladium, and scandium that is primarily studied for its structural properties.
What is HgPdSc2 used for?
What is the band gap of HgPdSc2?
Is HgPdSc2 a metal, semiconductor, or insulator?
Is HgPdSc2 thermodynamically stable?
What is the crystal structure of HgPdSc2?
What is the density of HgPdSc2?
How many polymorphs of HgPdSc2 are known?
What elements does HgPdSc2 contain?
Where does the data for HgPdSc2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or widely utilized members of the platinum-group alloy class such as As2Pt or Ga2Ru, HgPdSc2 occupies a more precarious position on the thermodynamic landscape. While its siblings often exhibit robust metallic characteristics, this compound's semiconducting electronic structure and relative instability highlight the diverse and often challenging nature of ternary scandium-based alloys.
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).
- alexandria — Data from alexandria.
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