Li3Co2O5
Li3Co2O5 is a metastable, semiconducting layered lithium transition-metal oxide used primarily in fundamental materials science research.
About Li3Co2O5
Li3Co2O5 is a complex layered lithium transition-metal oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural configuration within the lithium-cobalt-oxygen system, offering researchers insights into the phase stability of cathode-related materials.
Its significance lies in its structural diversity, with numerous reported configurations across major materials databases. This makes it a subject of interest for fundamental studies aimed at understanding how transition-metal arrangements influence the electrochemical potential and structural integrity of layered oxides.
Key Properties
Cross-validated computational properties for Li3Co2O5, 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 Li3Co2O5, 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 | 1.06 | 0.0277 | -6.210 | 4.28 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0594 | -6.178 | 4.23 |
| P-1 (No. 2) | triclinic | 0.72 | 0.0690 | -6.169 | 4.06 |
| C2/m (No. 12) | monoclinic | 0.21 | 0.0716 | -6.166 | 4.12 |
| C2/m (No. 12) | monoclinic | 0.37 | 0.0838 | -6.154 | 4.07 |
| P-1 (No. 2) | triclinic | 0.29 | 0.0927 | -6.145 | 4.07 |
| P-1 (No. 2) | triclinic | 0.31 | 0.0957 | -6.142 | 4.02 |
| C2/m (No. 12) | monoclinic | 0.32 | 0.0958 | -6.142 | 4.10 |
| P-1 (No. 2) | triclinic | 0.08 | 0.1007 | -6.137 | 4.08 |
| P-1 (No. 2) | triclinic | 0.47 | 0.1012 | -6.137 | 4.07 |
| C2/m (No. 12) | monoclinic | 0.03 | 0.1015 | -6.136 | 4.07 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1168 | -6.121 | 4.10 |
Applications
Where Li3Co2O5 is used.
Frequently Asked Questions
Common questions about Li3Co2O5, answered from cross-validated data.
What is Li3Co2O5?
Li3Co2O5 is a metastable, semiconducting layered lithium transition-metal oxide used primarily in fundamental materials science research.
What is Li3Co2O5 used for?
What is the band gap of Li3Co2O5?
Is Li3Co2O5 a metal, semiconductor, or insulator?
Is Li3Co2O5 thermodynamically stable?
What is the crystal structure of Li3Co2O5?
What is the density of Li3Co2O5?
How many polymorphs of Li3Co2O5 are known?
What elements does Li3Co2O5 contain?
Where does the data for Li3Co2O5 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broad family of layered lithium transition-metal oxides, Li3Co2O5 stands out as a metastable alternative to the highly stable and commercially ubiquitous LiCoO2. While LiCoO2 serves as the industry standard for cathode performance, Li3Co2O5 provides a distinct structural template that helps researchers map the broader stability landscape of lithium-based oxides, contrasting with the more common spinel or layered structures like LiMn2O4 or LiNiO2.
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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