Li2CoNiO4
Li2CoNiO4 is a semiconducting layered oxide containing lithium, cobalt, and nickel that is being researched for its potential as a battery cathode material.
About Li2CoNiO4
Li2CoNiO4 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a material positioned near the thermodynamic hull, it is considered a viable candidate for experimental synthesis and structural investigation.
This compound represents a complex arrangement of lithium, cobalt, nickel, and oxygen, which is of significant interest for energy storage applications. Its structural versatility, supported by numerous reported configurations, makes it a subject of ongoing study for next-generation cathode development.
Key Properties
Cross-validated computational properties for Li2CoNiO4, 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 Li2CoNiO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.00 | 0.0170 | -6.186 | 4.77 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0537 | -6.149 | 4.59 |
| P-1 (No. 2) | triclinic | 0.50 | 0.0580 | -6.145 | 4.52 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0651 | -6.138 | 4.53 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0775 | -6.125 | 4.50 |
| C222 (No. 21) | orthorhombic | 0.00 | 0.0820 | -6.121 | 4.60 |
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.0859 | -6.117 | 4.57 |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.0881 | -6.115 | 4.63 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 4.63 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.52 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.11 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li2CoNiO4 is used.
Frequently Asked Questions
Common questions about Li2CoNiO4, answered from cross-validated data.
What is Li2CoNiO4?
Li2CoNiO4 is a semiconducting layered oxide containing lithium, cobalt, and nickel that is being researched for its potential as a battery cathode material.
What is Li2CoNiO4 used for?
What is the band gap of Li2CoNiO4?
Is Li2CoNiO4 a metal, semiconductor, or insulator?
Is Li2CoNiO4 thermodynamically stable?
What is the crystal structure of Li2CoNiO4?
What is the density of Li2CoNiO4?
How many polymorphs of Li2CoNiO4 are known?
What elements does Li2CoNiO4 contain?
Where does the data for Li2CoNiO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li2CoNiO4 serves as a multi-cation alternative to simpler, well-established cathodes like LiCoO2 and LiNiO2. While those binary transition-metal systems are industry standards, Li2CoNiO4 offers a unique chemical landscape by incorporating both cobalt and nickel into a single framework, potentially balancing the electrochemical performance characteristics found in its single-metal counterparts.
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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