Cd2Cu1Li1
Cd2Cu1Li1 is a semiconducting ternary compound that is considered likely to be synthesizable due to its favorable thermodynamic stability.
About Cd2Cu1Li1
Cd2Cu1Li1 is a complex ternary intermetallic compound characterized by its semiconducting electronic structure. Its position near the thermodynamic hull suggests that it is a viable candidate for laboratory synthesis, offering a unique structural arrangement of cadmium, copper, and lithium atoms.
This material is of significant interest to researchers exploring new semiconducting phases. Its potential for synthesis provides a foundation for investigating how its specific atomic configuration influences electronic transport properties in advanced materials science applications.
Key Properties
Cross-validated computational properties for Cd2Cu1Li1, 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 Cd2Cu1Li1, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0223 | -13.504 | 7.53 |
| Immm (No. 71) | orthorhombic | 1.39 | 0.9934 | -12.533 | 0.54 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where Cd2Cu1Li1 is used.
Frequently Asked Questions
Common questions about Cd2Cu1Li1, answered from cross-validated data.
What is Cd2Cu1Li1?
Cd2Cu1Li1 is a semiconducting ternary compound that is considered likely to be synthesizable due to its favorable thermodynamic stability.
What is Cd2Cu1Li1 used for?
What is the band gap of Cd2Cu1Li1?
Is Cd2Cu1Li1 a metal, semiconductor, or insulator?
Is Cd2Cu1Li1 thermodynamically stable?
What is the crystal structure of Cd2Cu1Li1?
What is the density of Cd2Cu1Li1?
How many polymorphs of Cd2Cu1Li1 are known?
What elements does Cd2Cu1Li1 contain?
Where does the data for Cd2Cu1Li1 come from?
How It Compares
As a unique ternary phase, Cd2Cu1Li1 serves as a distinct entry point for exploring the interplay between cadmium, copper, and lithium. While it currently stands as a singular study in its immediate class, its structural diversity—evidenced by multiple reported configurations—positions it as an important reference for future investigations into similar ternary intermetallic systems.
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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