Mg1Pd1Zn2
Mg1Pd1Zn2 is a semiconducting intermetallic alloy composed of magnesium, palladium, and zinc that is primarily studied for its potential catalytic properties.
About Mg1Pd1Zn2
Mg1Pd1Zn2 is a complex intermetallic compound categorized within the platinum-group alloy catalyst class. It exhibits semiconducting electronic properties, distinguishing it from the purely metallic behavior often associated with its constituent transition metals. Its structural diversity is evidenced by numerous reported configurations, highlighting its complex coordination environment. As a material residing above the thermodynamic hull, this compound is considered metastable. Its existence in multiple structural forms suggests a delicate balance of chemical interactions that are of significant interest for fundamental studies in catalysis and materials science.
Key Properties
Cross-validated computational properties for Mg1Pd1Zn2, 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 Mg1Pd1Zn2, 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 | 0.66 | 1.5133 | -1.222 | 0.46 |
| Pmm2 (No. 25) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Applications
Where Mg1Pd1Zn2 is used.
Frequently Asked Questions
Common questions about Mg1Pd1Zn2, answered from cross-validated data.
What is Mg1Pd1Zn2?
Mg1Pd1Zn2 is a semiconducting intermetallic alloy composed of magnesium, palladium, and zinc that is primarily studied for its potential catalytic properties.
What is Mg1Pd1Zn2 used for?
What is the band gap of Mg1Pd1Zn2?
Is Mg1Pd1Zn2 a metal, semiconductor, or insulator?
Is Mg1Pd1Zn2 thermodynamically stable?
What is the crystal structure of Mg1Pd1Zn2?
What is the density of Mg1Pd1Zn2?
How many polymorphs of Mg1Pd1Zn2 are known?
What elements does Mg1Pd1Zn2 contain?
Where does the data for Mg1Pd1Zn2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more thermodynamically stable members of the platinum-group alloy class such as As2Pt or BaPd, Mg1Pd1Zn2 occupies a metastable state, which often leads to unique reactivity profiles in catalytic applications. While siblings like Ga2Ru or GeRu are frequently investigated for their robust structural frameworks, Mg1Pd1Zn2 is notable for its high structural variability, providing a distinct case study for how magnesium-palladium-zinc systems deviate from standard noble metal alloy behavior.
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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