Cu2Li1Pd1
Cu2Li1Pd1 is a semiconducting ternary alloy composed of copper, lithium, and palladium that is studied for its unique structural and electronic properties.
About Cu2Li1Pd1
Cu2Li1Pd1 is a specialized ternary alloy within the platinum-group metal family. Characterized by its semiconducting electronic nature, this material represents a unique intersection of transition metals and light alkali elements, offering distinct electronic properties compared to traditional metallic catalysts.
While the compound is currently identified as thermodynamically metastable, it remains a subject of interest in materials informatics due to the significant number of reported structural configurations. Its complex phase space suggests potential for tuning reactivity through structural modification in specialized chemical environments.
Key Properties
Cross-validated computational properties for Cu2Li1Pd1, 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 Cu2Li1Pd1, 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 | 0.21 | 1.9678 | -10.001 | 0.63 |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
Applications
Where Cu2Li1Pd1 is used.
Frequently Asked Questions
Common questions about Cu2Li1Pd1, answered from cross-validated data.
What is Cu2Li1Pd1?
Cu2Li1Pd1 is a semiconducting ternary alloy composed of copper, lithium, and palladium that is studied for its unique structural and electronic properties.
What is Cu2Li1Pd1 used for?
What is the band gap of Cu2Li1Pd1?
Is Cu2Li1Pd1 a metal, semiconductor, or insulator?
Is Cu2Li1Pd1 thermodynamically stable?
What is the crystal structure of Cu2Li1Pd1?
What is the density of Cu2Li1Pd1?
How many polymorphs of Cu2Li1Pd1 are known?
What elements does Cu2Li1Pd1 contain?
Where does the data for Cu2Li1Pd1 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Unlike more stable binary platinum-group alloys such as BaPd or LaRh, Cu2Li1Pd1 exists as a metastable phase, placing it in a distinct category of experimental materials that require precise synthesis conditions. Its semiconducting character further differentiates it from the predominantly metallic siblings like GeRu or P3Ru, positioning it as a niche candidate for research into non-metallic catalytic behaviors.
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).
Analyze Cu2Li1Pd1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →