Li8Co3NiO8
Li8Co3NiO8 is a metastable, semiconducting layered lithium transition-metal oxide used in advanced materials research for energy storage applications.
About Li8Co3NiO8
Li8Co3NiO8 belongs to the class of layered lithium transition-metal oxides, characterized by a complex arrangement of lithium and transition metal cations. As a semiconducting material, it represents a specialized composition within the broader family of lithium-based battery materials. Its metastable nature suggests unique structural pathways that are of significant interest for fundamental materials science research.
This compound is primarily studied for its potential roles in electrochemical energy storage systems. By leveraging the interplay between cobalt and nickel within the layered oxide framework, researchers investigate how such compositions influence ion mobility and structural integrity during charge-discharge cycling.
Key Properties
Cross-validated computational properties for Li8Co3NiO8, 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 Li8Co3NiO8, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.99 | 0.0876 | -5.779 | 3.46 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.61 |
| P1 (No. 1) | Triclinic | — | — | — | 3.46 |
| P1 (No. 1) | Triclinic | — | — | — | 3.62 |
Applications
Where Li8Co3NiO8 is used.
Frequently Asked Questions
Common questions about Li8Co3NiO8, answered from cross-validated data.
What is Li8Co3NiO8?
Li8Co3NiO8 is a metastable, semiconducting layered lithium transition-metal oxide used in advanced materials research for energy storage applications.
What is Li8Co3NiO8 used for?
What is the band gap of Li8Co3NiO8?
Is Li8Co3NiO8 a metal, semiconductor, or insulator?
Is Li8Co3NiO8 thermodynamically stable?
What is the crystal structure of Li8Co3NiO8?
What is the density of Li8Co3NiO8?
How many polymorphs of Li8Co3NiO8 are known?
What elements does Li8Co3NiO8 contain?
Where does the data for Li8Co3NiO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the family of layered lithium transition-metal oxides, Li8Co3NiO8 stands out as a more complex, multi-metal variant compared to the simpler, widely utilized LiCoO2. While LiCoO2 serves as the industry standard for cathode materials, Li8Co3NiO8 represents a more exotic, metastable structural configuration that researchers explore to understand how mixing transition metals can tune electronic and ionic properties beyond the capabilities of standard binary oxides.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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