Ni1Pd2Zn1
Ni1Pd2Zn1 is a semiconducting ternary alloy composed of nickel, palladium, and zinc that is primarily studied for its structural properties in catalytic research.
About Ni1Pd2Zn1
Ni1Pd2Zn1 is a specialized semiconducting alloy within the platinum-group metal family. Its unique electronic configuration positions it as a subject of interest for researchers investigating the interplay between transition metals and zinc in catalytic environments.
While this material exhibits a complex structural landscape with numerous recorded phases, it is characterized as being above the thermodynamic hull. This suggests that while it remains a significant target for structural studies, it may require specific synthesis conditions to stabilize its crystalline form.
Key Properties
Cross-validated computational properties for Ni1Pd2Zn1, 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.
Reported Structures
Lowest-energy structures reported for Ni1Pd2Zn1, 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 | 0.36 | 2.2705 | -2.426 | 0.77 |
| Pmmm (No. 47) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ni1Pd2Zn1 is used.
Frequently Asked Questions
Common questions about Ni1Pd2Zn1, answered from cross-validated data.
What is Ni1Pd2Zn1?
Ni1Pd2Zn1 is a semiconducting ternary alloy composed of nickel, palladium, and zinc that is primarily studied for its structural properties in catalytic research.
What is Ni1Pd2Zn1 used for?
What is the band gap of Ni1Pd2Zn1?
Is Ni1Pd2Zn1 a metal, semiconductor, or insulator?
Is Ni1Pd2Zn1 thermodynamically stable?
What is the crystal structure of Ni1Pd2Zn1?
What is the density of Ni1Pd2Zn1?
How many polymorphs of Ni1Pd2Zn1 are known?
What elements does Ni1Pd2Zn1 contain?
Where does the data for Ni1Pd2Zn1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the class of platinum-group alloy catalysts, Ni1Pd2Zn1 occupies a distinct niche compared to more stable or common intermetallics like BaPd or LaRh. Unlike these more robust counterparts, its position above the thermodynamic hull highlights the challenges in achieving long-term phase stability in ternary nickel-palladium-zinc systems.
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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