Li6CoNi5O12
Li6CoNi5O12 is a metastable, semimetallic layered oxide containing lithium, cobalt, and nickel that is investigated for its role in next-generation battery electrode development.
About Li6CoNi5O12
Li6CoNi5O12 belongs to the family of layered lithium transition-metal oxides, a class of materials critical for energy storage technologies. Characterized by a near-zero-gap electronic structure, this compound exhibits semimetallic behavior that distinguishes it from many of the insulating or semiconducting oxides typically found in this group.
As a metastable phase, it represents a complex configuration of lithium, cobalt, nickel, and oxygen. Its structural arrangement is of significant interest to researchers investigating novel cathode materials, where the precise coordination of transition metals influences electrochemical performance and stability during charge and discharge cycles.
Key Properties
Cross-validated computational properties for Li6CoNi5O12, 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 Li6CoNi5O12, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 0.06 | 0.0394 | -5.958 | 4.55 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.55 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.84 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.72 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Li6CoNi5O12 is used.
Frequently Asked Questions
Common questions about Li6CoNi5O12, answered from cross-validated data.
What is Li6CoNi5O12?
Li6CoNi5O12 is a metastable, semimetallic layered oxide containing lithium, cobalt, and nickel that is investigated for its role in next-generation battery electrode development.
What is Li6CoNi5O12 used for?
What is the band gap of Li6CoNi5O12?
Is Li6CoNi5O12 a metal, semiconductor, or insulator?
Is Li6CoNi5O12 thermodynamically stable?
What is the crystal structure of Li6CoNi5O12?
What is the density of Li6CoNi5O12?
How many polymorphs of Li6CoNi5O12 are known?
What elements does Li6CoNi5O12 contain?
Where does the data for Li6CoNi5O12 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broader class of layered lithium transition-metal oxides, Li6CoNi5O12 occupies a unique niche compared to more conventional, highly stable materials like LiCoO2 or LiNiO2. While those siblings are widely utilized as standard cathode components, this compound's metastable nature and semimetallic character highlight the diversity of phases possible within the lithium-cobalt-nickel-oxygen system, offering a distinct structural profile for fundamental materials research.
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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