Cu1Mg2Pd1
Cu1Mg2Pd1 is a semiconducting ternary intermetallic compound composed of copper, magnesium, and palladium.
About Cu1Mg2Pd1
Cu1Mg2Pd1 is a complex intermetallic compound categorized within the platinum-group alloy catalysts. Characterized by its semiconducting electronic behavior, this material represents a unique intersection of copper, magnesium, and palladium chemistry.
While this compound is currently identified as being above the thermodynamic hull, it remains a subject of interest in materials science due to the extensive structural data available for this specific stoichiometry. Its existence in multiple reported configurations highlights the structural diversity inherent in ternary palladium-based alloys.
Key Properties
Cross-validated computational properties for Cu1Mg2Pd1, 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 Cu1Mg2Pd1, 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 | 1.36 | 1.7306 | -1.828 | 0.43 |
| Pmm2 (No. 25) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Cu1Mg2Pd1 is used.
Frequently Asked Questions
Common questions about Cu1Mg2Pd1, answered from cross-validated data.
What is Cu1Mg2Pd1?
Cu1Mg2Pd1 is a semiconducting ternary intermetallic compound composed of copper, magnesium, and palladium.
What is Cu1Mg2Pd1 used for?
What is the band gap of Cu1Mg2Pd1?
Is Cu1Mg2Pd1 a metal, semiconductor, or insulator?
Is Cu1Mg2Pd1 thermodynamically stable?
What is the crystal structure of Cu1Mg2Pd1?
What is the density of Cu1Mg2Pd1?
How many polymorphs of Cu1Mg2Pd1 are known?
What elements does Cu1Mg2Pd1 contain?
Where does the data for Cu1Mg2Pd1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable or commercially established members of the platinum-group alloy class such as BaPd or LaRh, Cu1Mg2Pd1 occupies a more precarious position on the thermodynamic landscape. While siblings like IrSe2 or GeRu are often studied for their robust catalytic properties, this magnesium-containing phase serves as a structural curiosity that challenges conventional expectations of stability within the broader family of noble metal intermetallics.
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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