Ca2Hg1Pd1
Ca2Hg1Pd1 is a semiconducting ternary intermetallic compound composed of calcium, mercury, and palladium.
About Ca2Hg1Pd1
Ca2Hg1Pd1 is a complex intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic behavior, this material represents a specialized structural configuration within the ternary system of calcium, mercury, and palladium.
Despite its existence in multiple structural forms, the compound is identified as being thermodynamically unstable relative to the ground state. Its study contributes to the fundamental understanding of phase stability and electronic modulation in heavy-metal alloy systems.
Key Properties
Cross-validated computational properties for Ca2Hg1Pd1, 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.
Applications
Where Ca2Hg1Pd1 is used.
Frequently Asked Questions
Common questions about Ca2Hg1Pd1, answered from cross-validated data.
What is Ca2Hg1Pd1?
Ca2Hg1Pd1 is a semiconducting ternary intermetallic compound composed of calcium, mercury, and palladium.
What is Ca2Hg1Pd1 used for?
What is the band gap of Ca2Hg1Pd1?
Is Ca2Hg1Pd1 a metal, semiconductor, or insulator?
Is Ca2Hg1Pd1 thermodynamically stable?
How many polymorphs of Ca2Hg1Pd1 are known?
What elements does Ca2Hg1Pd1 contain?
Where does the data for Ca2Hg1Pd1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Ca2Hg1Pd1 occupies a distinct niche compared to more stable, highly ordered systems like As2Pt or Ga2Ru. While many members of this class are investigated for their robust catalytic performance, Ca2Hg1Pd1 is notable for its metastable nature, distinguishing it from the more thermodynamically favorable configurations found in other binary and ternary palladium-based alloys.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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