Ca1Pb1Pd2
Ca1Pb1Pd2 is a semiconducting ternary intermetallic compound composed of calcium, lead, and palladium, primarily studied for its structural complexity in alloy research.
About Ca1Pb1Pd2
Ca1Pb1Pd2 is a complex intermetallic compound categorized within the platinum-group alloy catalyst class. As a semiconducting material, it represents a unique intersection of alkaline earth, post-transition metal, and noble metal chemistry, offering distinct electronic properties for specialized catalytic investigations.
Despite its status as a thermodynamically metastable phase residing above the stability hull, this compound is of significant interest to researchers mapping the structural landscape of ternary alloys. Its existence across multiple reported structural configurations highlights the intricate bonding behaviors inherent in these multi-element systems.
Key Properties
Cross-validated computational properties for Ca1Pb1Pd2, 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 Ca1Pb1Pd2, 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 | 0.14 | 1.7975 | -2.781 | 0.83 |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where Ca1Pb1Pd2 is used.
Frequently Asked Questions
Common questions about Ca1Pb1Pd2, answered from cross-validated data.
What is Ca1Pb1Pd2?
Ca1Pb1Pd2 is a semiconducting ternary intermetallic compound composed of calcium, lead, and palladium, primarily studied for its structural complexity in alloy research.
What is Ca1Pb1Pd2 used for?
What is the band gap of Ca1Pb1Pd2?
Is Ca1Pb1Pd2 a metal, semiconductor, or insulator?
Is Ca1Pb1Pd2 thermodynamically stable?
What is the crystal structure of Ca1Pb1Pd2?
What is the density of Ca1Pb1Pd2?
How many polymorphs of Ca1Pb1Pd2 are known?
What elements does Ca1Pb1Pd2 contain?
Where does the data for Ca1Pb1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloys, Ca1Pb1Pd2 occupies a niche position compared to more stable, binary counterparts like BaPd or GeRu. While many members of this class are characterized by high thermodynamic stability, Ca1Pb1Pd2 serves as an example of the complex, metastable phases that emerge in ternary systems, providing a contrast to the simpler, highly ordered structures found in siblings like LaRh.
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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