Cu1Mg1Pd2
Cu1Mg1Pd2 is a semiconducting ternary alloy composed of copper, magnesium, and palladium that is primarily studied for its structural properties in catalytic research.
About Cu1Mg1Pd2
Cu1Mg1Pd2 is a specialized intermetallic compound categorized within the platinum-group alloy catalyst class. Characterized by its semiconducting electronic nature, this material represents a unique intersection of copper, magnesium, and palladium chemistry, offering distinct bonding environments that are of interest for fundamental catalytic research.
Despite its status as a metastable phase situated above the thermodynamic hull, the compound has been identified across numerous structural configurations. This structural diversity highlights its potential as a model system for investigating how specific atomic arrangements influence the electronic properties of ternary palladium-based alloys.
Key Properties
Cross-validated computational properties for Cu1Mg1Pd2, 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 Cu1Mg1Pd2, 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 | 0.25 | 2.2313 | -2.252 | 0.60 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where Cu1Mg1Pd2 is used.
Frequently Asked Questions
Common questions about Cu1Mg1Pd2, answered from cross-validated data.
What is Cu1Mg1Pd2?
Cu1Mg1Pd2 is a semiconducting ternary alloy composed of copper, magnesium, and palladium that is primarily studied for its structural properties in catalytic research.
What is Cu1Mg1Pd2 used for?
What is the band gap of Cu1Mg1Pd2?
Is Cu1Mg1Pd2 a metal, semiconductor, or insulator?
Is Cu1Mg1Pd2 thermodynamically stable?
What is the crystal structure of Cu1Mg1Pd2?
What is the density of Cu1Mg1Pd2?
How many polymorphs of Cu1Mg1Pd2 are known?
What elements does Cu1Mg1Pd2 contain?
Where does the data for Cu1Mg1Pd2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader family of platinum-group alloys, Cu1Mg1Pd2 occupies a distinct niche compared to more stable, highly ordered phases like BaPd or GeRu. While many members of this class exhibit robust thermodynamic stability, the metastable nature of this copper-magnesium-palladium system suggests a more complex synthesis pathway, making it a subject of interest for researchers studying phase formation and structural evolution in multi-component metal catalysts.
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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