Cu1Li2Zn1
Cu1Li2Zn1 is a semiconducting ternary material containing copper, lithium, and zinc that is considered likely unstable due to its position above the thermodynamic hull.
About Cu1Li2Zn1
Cu1Li2Zn1 is a ternary compound composed of copper, lithium, and zinc. As a semiconducting material, it exhibits distinct electronic properties that differentiate it from simple metallic alloys or pure elemental insulators. Its structural complexity is evidenced by a significant number of reported configurations within material databases. The compound is characterized as being above the thermodynamic hull, suggesting that it is likely unstable under standard conditions. This metastability makes it a subject of interest for researchers investigating phase formation and the limits of structural stability in multinary systems.
Key Properties
Cross-validated computational properties for Cu1Li2Zn1, 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 Cu1Li2Zn1, 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 | 0.56 | 1.1760 | -1.254 | 0.31 |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cu1Li2Zn1, answered from cross-validated data.
What is Cu1Li2Zn1?
Cu1Li2Zn1 is a semiconducting ternary material containing copper, lithium, and zinc that is considered likely unstable due to its position above the thermodynamic hull.
What is the band gap of Cu1Li2Zn1?
Is Cu1Li2Zn1 a metal, semiconductor, or insulator?
Is Cu1Li2Zn1 thermodynamically stable?
What is the crystal structure of Cu1Li2Zn1?
What is the density of Cu1Li2Zn1?
How many polymorphs of Cu1Li2Zn1 are known?
What elements does Cu1Li2Zn1 contain?
Where does the data for Cu1Li2Zn1 come from?
How It Compares
As a unique ternary phase, Cu1Li2Zn1 serves as an example of the complex compositional space available when combining transition metals with alkali elements. While it lacks direct siblings in this specific classification, its existence highlights the challenges of stabilizing such intermetallic structures compared to more robust, thermodynamically favored compounds.
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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