LiZnCu2
LiZnCu2 is a semiconducting ternary intermetallic compound that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.
About LiZnCu2
LiZnCu2 is a ternary intermetallic compound composed of lithium, zinc, and copper. It exhibits semiconducting electronic behavior, which distinguishes it from typical metallic alloys and positions it as a subject of interest for specialized electronic applications.
Due to its status as a near-hull phase, this material is considered thermodynamically accessible and likely synthesizable under controlled laboratory conditions. The existence of multiple reported structures across various databases underscores its potential for structural diversity and further experimental investigation.
Key Properties
Cross-validated computational properties for LiZnCu2, 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 LiZnCu2, 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 | 0.0110 | -2.949 | 6.79 |
| Immm (No. 71) | orthorhombic | 0.29 | 1.4290 | -1.531 | 0.54 |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.52 |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.81 |
| Fm-3m (No. 225) | Cubic | — | — | — | 6.79 |
Applications
Where LiZnCu2 is used.
Frequently Asked Questions
Common questions about LiZnCu2, answered from cross-validated data.
What is LiZnCu2?
LiZnCu2 is a semiconducting ternary intermetallic compound that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.
What is LiZnCu2 used for?
What is the band gap of LiZnCu2?
Is LiZnCu2 a metal, semiconductor, or insulator?
Is LiZnCu2 thermodynamically stable?
What is the crystal structure of LiZnCu2?
What is the density of LiZnCu2?
How many polymorphs of LiZnCu2 are known?
What elements does LiZnCu2 contain?
Where does the data for LiZnCu2 come from?
How It Compares
As a unique ternary phase within the lithium-zinc-copper system, LiZnCu2 occupies a distinct niche where its semiconducting properties provide a functional alternative to the more common, highly conductive metallic alloys typically found in this compositional space.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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