CuLiZn2
CuLiZn2 is a ternary semiconducting compound composed of copper, lithium, and zinc that is currently being studied for its structural properties.
About CuLiZn2
CuLiZn2 is a ternary compound composed of copper, lithium, and zinc. As a semiconducting material, it represents a complex arrangement of metallic elements that has been the subject of structural investigation across multiple databases. Its electronic character suggests potential for specialized functional applications in solid-state physics. Although it is currently classified as thermodynamically unstable relative to the ground state, its existence in multiple structural forms highlights the intricate phase space of lithium-bearing intermetallics. Understanding its stability and electronic behavior is essential for researchers exploring unconventional semiconductor compositions.
Key Properties
Cross-validated computational properties for CuLiZn2, aggregated across 3 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 CuLiZn2, 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 | 1.44 | 1.1269 | -1.160 | 0.54 |
| P4/mmm (No. 123) | — | — | — | — | — |
| — | — | — | — | — | 6.20 |
| — | — | — | — | — | 6.20 |
Frequently Asked Questions
Common questions about CuLiZn2, answered from cross-validated data.
What is CuLiZn2?
CuLiZn2 is a ternary semiconducting compound composed of copper, lithium, and zinc that is currently being studied for its structural properties.
What is the band gap of CuLiZn2?
Is CuLiZn2 a metal, semiconductor, or insulator?
Is CuLiZn2 thermodynamically stable?
What is the crystal structure of CuLiZn2?
What is the density of CuLiZn2?
How many polymorphs of CuLiZn2 are known?
What elements does CuLiZn2 contain?
Where does the data for CuLiZn2 come from?
How It Compares
As a unique ternary phase, CuLiZn2 occupies a distinct position in the landscape of multinary metallic compounds, serving as a case study for the synthesis and stability challenges inherent in lithium-containing systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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