Li3CrCo3O8
Li3CrCo3O8 is a metastable, semiconducting layered oxide containing lithium, chromium, and cobalt, primarily studied for its potential applications in advanced battery technology.
About Li3CrCo3O8
Li3CrCo3O8 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a metastable compound, it represents a complex arrangement of lithium, chromium, cobalt, and oxygen atoms that offers unique structural insights into intercalation chemistry. Its existence within multiple structural configurations highlights its significance for researchers studying phase transitions in battery materials. This compound is primarily of interest in materials science research for its potential role in high-capacity energy storage systems. By exploring its layered framework, scientists aim to better understand the stability and ion-transport mechanisms required for next-generation cathode development.
Key Properties
Cross-validated computational properties for Li3CrCo3O8, 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 Li3CrCo3O8, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.78 | 0.0501 | -6.863 | 4.37 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0605 | -6.852 | 4.62 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1149 | -6.798 | 4.32 |
| C2/m (No. 12) | monoclinic | 0.79 | 0.1186 | -6.794 | 4.32 |
| C2/c (No. 15) | monoclinic | 0.36 | 0.1578 | -6.755 | 4.26 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.32 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 5.10 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.78 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.96 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Li3CrCo3O8 is used.
Frequently Asked Questions
Common questions about Li3CrCo3O8, answered from cross-validated data.
What is Li3CrCo3O8?
Li3CrCo3O8 is a metastable, semiconducting layered oxide containing lithium, chromium, and cobalt, primarily studied for its potential applications in advanced battery technology.
What is Li3CrCo3O8 used for?
What is the band gap of Li3CrCo3O8?
Is Li3CrCo3O8 a metal, semiconductor, or insulator?
Is Li3CrCo3O8 thermodynamically stable?
What is the crystal structure of Li3CrCo3O8?
What is the density of Li3CrCo3O8?
How many polymorphs of Li3CrCo3O8 are known?
What elements does Li3CrCo3O8 contain?
Where does the data for Li3CrCo3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li3CrCo3O8 occupies a distinct niche compared to more conventional materials like LiCoO2. While LiCoO2 is a well-established industrial standard for stable battery cathodes, Li3CrCo3O8 is distinguished by its metastable nature and unique multi-metal composition. Unlike the widely utilized LiMn2O4, which is often studied for its spinel-based structural stability, this compound serves as a specialized subject for investigating how chromium and cobalt substitutions influence the electronic and structural landscape of the oxide lattice.
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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