Li2Co3NiO8
Li2Co3NiO8 is a semiconducting layered oxide containing lithium, cobalt, and nickel that is being studied for use in high-performance battery cathodes.
About Li2Co3NiO8
Li2Co3NiO8 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic structure. As a near-hull material, it is considered thermodynamically accessible, making it a subject of interest for researchers exploring new cathode architectures. Its structural versatility is evidenced by the multiple reported configurations found in materials databases. This compound is primarily investigated for its potential role in electrochemical energy storage systems, where the synergistic behavior of cobalt and nickel within a lithium-rich framework is essential for optimizing charge-discharge performance. By leveraging its stable layered geometry, it serves as a platform for studying ion transport and redox stability in next-generation battery materials.
Key Properties
Cross-validated computational properties for Li2Co3NiO8, 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 Li2Co3NiO8, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.94 | 0.0044 | -6.475 | 4.82 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0561 | -6.424 | 4.65 |
| R3m (No. 160) | trigonal | 0.00 | 0.0733 | -6.407 | 4.78 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0754 | -6.404 | 4.61 |
| P4332 (No. 212) | cubic | 0.00 | 0.0777 | -6.402 | 4.82 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1088 | -6.371 | 4.45 |
| R-3m (No. 166) | trigonal | 0.00 | 0.2258 | -6.254 | 4.89 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.09 |
| R3m (No. 160) | Trigonal | — | — | — | 5.07 |
| C2/m (No. 12) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.84 |
Applications
Where Li2Co3NiO8 is used.
Frequently Asked Questions
Common questions about Li2Co3NiO8, answered from cross-validated data.
What is Li2Co3NiO8?
Li2Co3NiO8 is a semiconducting layered oxide containing lithium, cobalt, and nickel that is being studied for use in high-performance battery cathodes.
What is Li2Co3NiO8 used for?
What is the band gap of Li2Co3NiO8?
Is Li2Co3NiO8 a metal, semiconductor, or insulator?
Is Li2Co3NiO8 thermodynamically stable?
What is the crystal structure of Li2Co3NiO8?
What is the density of Li2Co3NiO8?
How many polymorphs of Li2Co3NiO8 are known?
What elements does Li2Co3NiO8 contain?
Where does the data for Li2Co3NiO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li2Co3NiO8 occupies a unique niche compared to more traditional, widely commercialized materials like LiCoO2 or LiNiO2. While those binary-transition-metal counterparts are foundational standards in battery technology, Li2Co3NiO8 represents a more complex, multi-metal approach that aims to balance the specific electrochemical advantages of both cobalt and nickel, positioning it as a sophisticated alternative to simpler oxides like LiAlO2 or the manganese-based spinels.
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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