LiCo2NiO6
LiCo2NiO6 is a metastable, semiconducting layered oxide containing lithium, cobalt, nickel, and oxygen, primarily studied for its electrochemical potential.
About LiCo2NiO6
LiCo2NiO6 belongs to the class of layered lithium transition-metal oxides, characterized by a complex arrangement of lithium and transition metal layers. As a semiconducting material, it is primarily investigated for its potential to facilitate ion transport and electron transfer in electrochemical systems.
Because this compound is considered metastable, its synthesis and structural integrity are of significant interest to researchers studying phase stability in battery materials. It represents a niche composition within the broader family of lithium-based oxides, offering unique structural pathways for energy applications.
Key Properties
Cross-validated computational properties for LiCo2NiO6, 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 LiCo2NiO6, 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 | 0.61 | 0.0402 | -6.423 | 4.54 |
| P1 (No. 1) | triclinic | 0.32 | 0.0671 | -6.396 | 4.48 |
| C2/m (No. 12) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.48 |
| P1 (No. 1) | Triclinic | — | — | — | 4.77 |
| P1 (No. 1) | Triclinic | — | — | — | 4.94 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where LiCo2NiO6 is used.
Frequently Asked Questions
Common questions about LiCo2NiO6, answered from cross-validated data.
What is LiCo2NiO6?
LiCo2NiO6 is a metastable, semiconducting layered oxide containing lithium, cobalt, nickel, and oxygen, primarily studied for its electrochemical potential.
What is LiCo2NiO6 used for?
What is the band gap of LiCo2NiO6?
Is LiCo2NiO6 a metal, semiconductor, or insulator?
Is LiCo2NiO6 thermodynamically stable?
What is the crystal structure of LiCo2NiO6?
What is the density of LiCo2NiO6?
How many polymorphs of LiCo2NiO6 are known?
What elements does LiCo2NiO6 contain?
Where does the data for LiCo2NiO6 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, LiCo2NiO6 occupies a distinct position compared to more established benchmarks like LiCoO2 or LiNiO2. While those materials are widely utilized for their robust performance in commercial cells, LiCo2NiO6 is a less common, metastable variant that provides a unique structural perspective on how mixed-metal coordination influences electronic properties.
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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