Ca2PdZn
This intermetallic compound is a ternary phase composed of calcium, palladium, and zinc. It is primarily studied in materials science research for its structural properties and potential behavior in solid-state chemistry.
Key Properties
Cross-validated computational properties for Ca2PdZn, 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 Ca2PdZn, 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 | 0.10 | 1.5786 | -1.549 | 0.35 |
| — | — | — | — | — | — |
| — | — | — | — | — | 4.50 |
Applications
Where Ca2PdZn is used.
Frequently Asked Questions
Common questions about Ca2PdZn, answered from cross-validated data.
What is Ca2PdZn?
This intermetallic compound is a ternary phase composed of calcium, palladium, and zinc. It is primarily studied in materials science research for its structural properties and potential behavior in solid-state chemistry.
What is Ca2PdZn used for?
What is the band gap of Ca2PdZn?
Is Ca2PdZn a metal, semiconductor, or insulator?
Is Ca2PdZn thermodynamically stable?
What is the crystal structure of Ca2PdZn?
What is the density of Ca2PdZn?
How many polymorphs of Ca2PdZn are known?
What elements does Ca2PdZn contain?
Where does the data for Ca2PdZn come from?
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).
- alexandria — Data from alexandria.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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