Li3Fe2CoO6
Li3Fe2CoO6 is a semiconducting layered lithium transition-metal oxide synthesized as a potential candidate for advanced battery cathode materials.
About Li3Fe2CoO6
Li3Fe2CoO6 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic structure. Its composition, incorporating both iron and cobalt, positions it as a complex oxide of interest for potential electrochemical applications in next-generation battery technologies.
As a near-hull compound, it is considered thermodynamically stable enough to be a target for experimental synthesis. The structural diversity observed across multiple databases highlights its significance as a subject for ongoing materials discovery and performance optimization in energy storage systems.
Key Properties
Cross-validated computational properties for Li3Fe2CoO6, 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 Li3Fe2CoO6, 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 | 2.10 | 0.0111 | -6.825 | 4.40 |
| C2/m (No. 12) | monoclinic | 0.46 | 0.0123 | -6.824 | 4.40 |
| C2/m (No. 12) | monoclinic | 1.87 | 0.0272 | -6.809 | 4.30 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.40 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.95 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.67 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.40 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.03 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.30 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.58 |
Applications
Where Li3Fe2CoO6 is used.
Frequently Asked Questions
Common questions about Li3Fe2CoO6, answered from cross-validated data.
What is Li3Fe2CoO6?
Li3Fe2CoO6 is a semiconducting layered lithium transition-metal oxide synthesized as a potential candidate for advanced battery cathode materials.
What is Li3Fe2CoO6 used for?
What is the band gap of Li3Fe2CoO6?
Is Li3Fe2CoO6 a metal, semiconductor, or insulator?
Is Li3Fe2CoO6 thermodynamically stable?
What is the crystal structure of Li3Fe2CoO6?
What is the density of Li3Fe2CoO6?
How many polymorphs of Li3Fe2CoO6 are known?
What elements does Li3Fe2CoO6 contain?
Where does the data for Li3Fe2CoO6 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the family of layered lithium transition-metal oxides, Li3Fe2CoO6 serves as a complex multi-metal alternative to more conventional cathode materials like LiCoO2. While LiCoO2 remains the industry standard for stability and performance, the inclusion of iron and cobalt in this specific stoichiometry offers a unique electronic profile compared to manganese-rich siblings such as Li2MnO3 or LiMnO2, potentially providing different pathways for ion transport and structural integrity.
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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