Li3CoNi3O8
Li3CoNi3O8 is a semimetallic layered lithium transition-metal oxide that is potentially synthesizable for use in advanced energy storage research.
About Li3CoNi3O8
Li3CoNi3O8 is a complex layered lithium transition-metal oxide that sits near the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis. Its unique electronic character, which borders on semimetallic, distinguishes it from typical insulating or semiconducting oxide materials.
As a member of the layered oxide family, this compound is of significant interest for energy storage applications. Its structural configuration allows for the potential mobility of lithium ions, making it a subject of investigation for next-generation cathode materials in high-performance electrochemical cells.
Key Properties
Cross-validated computational properties for Li3CoNi3O8, 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 Li3CoNi3O8, 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 | 0.09 | 0.0148 | -6.078 | 4.68 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0149 | -6.078 | 4.62 |
| P31c (No. 159) | trigonal | 0.00 | 0.0688 | -6.024 | 4.89 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.2196 | -5.874 | 4.96 |
| R-3m (No. 166) | — | — | — | — | — |
| P31c (No. 159) | Trigonal | — | — | — | 4.89 |
| P31c (No. 159) | Trigonal | — | — | — | 5.19 |
| P31c (No. 159) | Trigonal | — | — | — | 5.10 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 4.85 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.62 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.99 |
Applications
Where Li3CoNi3O8 is used.
Frequently Asked Questions
Common questions about Li3CoNi3O8, answered from cross-validated data.
What is Li3CoNi3O8?
Li3CoNi3O8 is a semimetallic layered lithium transition-metal oxide that is potentially synthesizable for use in advanced energy storage research.
What is Li3CoNi3O8 used for?
What is the band gap of Li3CoNi3O8?
Is Li3CoNi3O8 a metal, semiconductor, or insulator?
Is Li3CoNi3O8 thermodynamically stable?
What is the crystal structure of Li3CoNi3O8?
What is the density of Li3CoNi3O8?
How many polymorphs of Li3CoNi3O8 are known?
What elements does Li3CoNi3O8 contain?
Where does the data for Li3CoNi3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li3CoNi3O8 occupies a distinct niche compared to well-established benchmarks like LiCoO2 or LiNiO2. While those siblings are widely utilized for their stable, insulating, or semiconducting properties in commercial batteries, Li3CoNi3O8 offers a different electronic profile characterized by its semimetallic nature, positioning it as a specialized material for fundamental studies in electronic and ionic transport.
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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