CaPd2Sn
CaPd2Sn is a semiconducting ternary intermetallic compound composed of calcium, palladium, and tin that is studied for its unique structural and electronic properties.
About CaPd2Sn
CaPd2Sn is a specialized intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic nature, this material represents a complex arrangement of calcium, palladium, and tin atoms that has been documented across multiple structural databases. Its existence as a semiconducting phase makes it a subject of interest for fundamental studies in solid-state chemistry and materials design. Because it sits above the thermodynamic hull, CaPd2Sn is considered a metastable phase, which often highlights the intricate synthetic challenges involved in stabilizing such ternary alloys. This instability is a common feature in complex intermetallics, where precise control over processing conditions is required to access specific structural configurations that might otherwise be elusive.
Key Properties
Cross-validated computational properties for CaPd2Sn, 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 CaPd2Sn, 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 | 0.16 | 1.9289 | -2.878 | 0.61 |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 7.61 |
Applications
Where CaPd2Sn is used.
Frequently Asked Questions
Common questions about CaPd2Sn, answered from cross-validated data.
What is CaPd2Sn?
CaPd2Sn is a semiconducting ternary intermetallic compound composed of calcium, palladium, and tin that is studied for its unique structural and electronic properties.
What is CaPd2Sn used for?
What is the band gap of CaPd2Sn?
Is CaPd2Sn a metal, semiconductor, or insulator?
Is CaPd2Sn thermodynamically stable?
What is the crystal structure of CaPd2Sn?
What is the density of CaPd2Sn?
How many polymorphs of CaPd2Sn are known?
What elements does CaPd2Sn contain?
Where does the data for CaPd2Sn come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the diverse family of platinum-group alloy catalysts, CaPd2Sn stands out as a ternary system compared to many binary counterparts like BaPd or LaRh. While simpler alloys in this class often exhibit metallic behavior, the semiconducting nature of CaPd2Sn positions it as a unique candidate for exploring electronic tuning in palladium-based systems, contrasting with the more conventional metallic behavior observed in established siblings like GeRu or Ga2Ru.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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