LiCoO2
Lithium cobalt oxide · LCO
Lithium cobalt oxide is a dark gray or black crystalline powder widely utilized as a cathode material in rechargeable batteries. It is highly valued for its ability to facilitate the efficient movement of lithium ions during charge and discharge cycles.
Key Properties
Cross-validated computational properties for Lithium cobalt oxide, 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 LiCoO2, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 0.67 | 0.0000 | -6.645 | 4.34 |
| R-3m (No. 166) | trigonal | 0.66 | 0.0000 | -6.480 | 5.12 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0006 | -6.480 | 5.15 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0090 | -6.667 | 4.21 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0100 | -6.683 | 4.11 |
| C2/m (No. 12) | monoclinic | 0.49 | 0.0133 | -6.679 | 3.78 |
| Cc (No. 9) | monoclinic | 1.11 | 0.0157 | -6.660 | 4.19 |
| P2/m (No. 10) | monoclinic | 1.18 | 0.0165 | -6.676 | 3.78 |
| P4332 (No. 212) | cubic | 0.00 | 0.0173 | -6.627 | 4.35 |
| C2/m (No. 12) | monoclinic | 1.04 | 0.0273 | -6.649 | 3.87 |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0287 | -6.616 | 4.12 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0316 | -6.613 | 4.28 |
Synthesis Routes
Literature-extracted synthesis procedures targeting LiCoO2.
Applications
Where Lithium cobalt oxide is used.
Frequently Asked Questions
Common questions about Lithium cobalt oxide, answered from cross-validated data.
What is LiCoO2?
Lithium cobalt oxide is a dark gray or black crystalline powder widely utilized as a cathode material in rechargeable batteries. It is highly valued for its ability to facilitate the efficient movement of lithium ions during charge and discharge cycles.
What is LiCoO2 used for?
What is the band gap of LiCoO2?
Is LiCoO2 a metal, semiconductor, or insulator?
Is LiCoO2 thermodynamically stable?
What is the crystal structure of LiCoO2?
What is the density of LiCoO2?
How many polymorphs of LiCoO2 are known?
How is LiCoO2 synthesized?
What elements does LiCoO2 contain?
Where does the data for LiCoO2 come from?
Related Research
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).
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