Li2CoNi3O8
Li2CoNi3O8 is a semimetallic layered oxide containing lithium, cobalt, and nickel that is being investigated for its potential utility in advanced energy storage applications.
About Li2CoNi3O8
Li2CoNi3O8 belongs to the class of layered lithium transition-metal oxides, characterized by its unique near-zero-gap electronic structure. This semimetallic behavior distinguishes it from many traditional insulating or semiconducting cathode materials, offering intriguing pathways for electron transport in electrochemical systems. Its thermodynamic stability places it near the convex hull, suggesting that this complex oxide is a viable candidate for experimental synthesis and structural characterization. The material's ability to host multiple transition metals within a layered framework makes it a subject of significant interest for researchers investigating high-performance battery electrodes. By balancing cobalt and nickel within the lithium-oxide lattice, it provides a distinct chemical environment that may enhance ion mobility and structural resilience during cycling.
Key Properties
Cross-validated computational properties for Li2CoNi3O8, 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 Li2CoNi3O8, 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 | 0.06 | 0.0027 | -6.139 | 4.73 |
| P212121 (No. 19) | orthorhombic | 0.03 | 0.0093 | -6.132 | 4.62 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0131 | -6.128 | 4.77 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0337 | -6.108 | 4.57 |
| P4132 (No. 213) | cubic | 0.00 | 0.0491 | -6.092 | 4.62 |
| P43212 (No. 96) | tetragonal | 0.02 | 0.2182 | -5.923 | 4.74 |
| P-1 (No. 2) | triclinic | 0.00 | 3.5549 | -2.587 | 4.57 |
| R-3m (No. 166) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.88 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.57 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.91 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.75 |
Applications
Where Li2CoNi3O8 is used.
Frequently Asked Questions
Common questions about Li2CoNi3O8, answered from cross-validated data.
What is Li2CoNi3O8?
Li2CoNi3O8 is a semimetallic layered oxide containing lithium, cobalt, and nickel that is being investigated for its potential utility in advanced energy storage applications.
What is Li2CoNi3O8 used for?
What is the band gap of Li2CoNi3O8?
Is Li2CoNi3O8 a metal, semiconductor, or insulator?
Is Li2CoNi3O8 thermodynamically stable?
What is the crystal structure of Li2CoNi3O8?
What is the density of Li2CoNi3O8?
How many polymorphs of Li2CoNi3O8 are known?
What elements does Li2CoNi3O8 contain?
Where does the data for Li2CoNi3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li2CoNi3O8 occupies a specialized niche compared to widely commercialized benchmarks like LiCoO2 or LiNiO2. While those materials are typically defined by their insulating or semiconducting nature, Li2CoNi3O8 stands out due to its semimetallic character. It shares structural similarities with complex spinel-related phases like Li5Mn3O8, yet its specific cobalt-nickel stoichiometry allows for a different electronic landscape that potentially mitigates some of the degradation pathways common in simpler binary transition-metal systems.
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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