Li2CoCuO4
Li2CoCuO4 is a metastable, semimetallic layered oxide containing lithium, cobalt, copper, and oxygen, primarily investigated for its unique electronic properties in advanced materials research.
About Li2CoCuO4
Li2CoCuO4 is a complex layered lithium transition-metal oxide characterized by its metastable nature and unique electronic structure. As a near-zero-gap material, it exhibits semimetallic behavior that distinguishes it from many traditional insulating oxide counterparts in this class.
This compound is of significant interest in materials science due to its structural complexity and the interplay between its constituent transition metals. Researchers study its behavior to better understand ion transport and electronic conductivity in multi-metal oxide systems, which are critical for the development of next-generation energy storage technologies.
Key Properties
Cross-validated computational properties for Li2CoCuO4, 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 Li2CoCuO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.00 | 0.0411 | -5.912 | 4.87 |
| C2 (No. 5) | monoclinic | 0.04 | 0.0592 | -5.894 | 4.64 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0865 | -5.867 | 4.66 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0866 | -5.867 | 4.66 |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.0896 | -5.864 | 4.68 |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.14 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.66 |
| Imm2 (No. 44) | — | — | — | — | — |
| Imma (No. 74) | Orthorhombic | — | — | — | 5.03 |
| I-4m2 (No. 119) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 4.89 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.64 |
Applications
Where Li2CoCuO4 is used.
Frequently Asked Questions
Common questions about Li2CoCuO4, answered from cross-validated data.
What is Li2CoCuO4?
Li2CoCuO4 is a metastable, semimetallic layered oxide containing lithium, cobalt, copper, and oxygen, primarily investigated for its unique electronic properties in advanced materials research.
What is Li2CoCuO4 used for?
What is the band gap of Li2CoCuO4?
Is Li2CoCuO4 a metal, semiconductor, or insulator?
Is Li2CoCuO4 thermodynamically stable?
What is the crystal structure of Li2CoCuO4?
What is the density of Li2CoCuO4?
How many polymorphs of Li2CoCuO4 are known?
What elements does Li2CoCuO4 contain?
Where does the data for Li2CoCuO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li2CoCuO4 stands out for its semimetallic character, contrasting sharply with the wide-gap insulating behavior typical of stable compounds like LiCoO2 or LiAlO2. While LiCoO2 is a standard benchmark for commercial battery cathodes, Li2CoCuO4 represents a more exotic, metastable configuration that challenges conventional structural paradigms observed in more common members like LiMn2O4.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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