LiCo3NiO8
LiCo3NiO8 is a semiconducting layered lithium transition-metal oxide being studied for its potential utility in high-performance battery cathode applications.
About LiCo3NiO8
LiCo3NiO8 belongs to the class of layered lithium transition-metal oxides, a group of materials central to the advancement of high-energy-density storage systems. As a semiconducting oxide, it exhibits electronic properties that are highly relevant for ion transport and electrochemical performance in battery environments.
This compound is characterized by its proximity to the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis. With multiple structural variations documented, it remains a subject of interest for researchers investigating the optimization of cathode architectures for next-generation power sources.
Key Properties
Cross-validated computational properties for LiCo3NiO8, 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 LiCo3NiO8, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.24 | 0.0245 | -6.506 | 4.36 |
| C2/m (No. 12) | monoclinic | 0.11 | 0.0283 | -6.503 | 4.38 |
| C2/c (No. 15) | monoclinic | 0.53 | 0.0287 | -6.502 | 4.36 |
| P-1 (No. 2) | triclinic | 0.47 | 0.0290 | -6.502 | 4.36 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0344 | -6.496 | 4.77 |
| C2/m (No. 12) | monoclinic | 0.07 | 0.0828 | -6.448 | 4.43 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.78 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.56 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.79 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.38 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.55 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.43 |
Applications
Where LiCo3NiO8 is used.
Frequently Asked Questions
Common questions about LiCo3NiO8, answered from cross-validated data.
What is LiCo3NiO8?
LiCo3NiO8 is a semiconducting layered lithium transition-metal oxide being studied for its potential utility in high-performance battery cathode applications.
What is LiCo3NiO8 used for?
What is the band gap of LiCo3NiO8?
Is LiCo3NiO8 a metal, semiconductor, or insulator?
Is LiCo3NiO8 thermodynamically stable?
What is the crystal structure of LiCo3NiO8?
What is the density of LiCo3NiO8?
How many polymorphs of LiCo3NiO8 are known?
What elements does LiCo3NiO8 contain?
Where does the data for LiCo3NiO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, LiCo3NiO8 occupies a niche position alongside well-established industry standards like LiCoO2. While LiCoO2 serves as the benchmark for commercial layered cathodes, LiCo3NiO8 represents a more complex mixed-metal arrangement that aims to balance the structural stability and electrochemical capacity inherent to the cobalt-nickel-lithium oxide framework.
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.
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