LiFeCo3O8
LiFeCo3O8 is a semiconducting, metastable layered lithium transition-metal oxide used in materials science research for energy storage applications.
About LiFeCo3O8
LiFeCo3O8 belongs to the class of layered lithium transition-metal oxides, a family of materials essential for the development of high-performance electrochemical systems. As a semiconducting compound, it exhibits electronic properties that make it a subject of interest for researchers investigating ion mobility and charge transfer mechanisms within complex oxide lattices.
Despite its metastable nature, this compound is structurally significant within the broader landscape of lithium-based oxides. Its unique composition of iron and cobalt within the layered framework allows for diverse structural configurations, as evidenced by the multiple reported structures found in materials databases.
Key Properties
Cross-validated computational properties for LiFeCo3O8, 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 LiFeCo3O8, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.38 | 0.0330 | -6.843 | 4.36 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 4.67 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.36 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.86 |
Applications
Where LiFeCo3O8 is used.
Frequently Asked Questions
Common questions about LiFeCo3O8, answered from cross-validated data.
What is LiFeCo3O8?
LiFeCo3O8 is a semiconducting, metastable layered lithium transition-metal oxide used in materials science research for energy storage applications.
What is LiFeCo3O8 used for?
What is the band gap of LiFeCo3O8?
Is LiFeCo3O8 a metal, semiconductor, or insulator?
Is LiFeCo3O8 thermodynamically stable?
What is the crystal structure of LiFeCo3O8?
What is the density of LiFeCo3O8?
How many polymorphs of LiFeCo3O8 are known?
What elements does LiFeCo3O8 contain?
Where does the data for LiFeCo3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the family of layered lithium transition-metal oxides, LiFeCo3O8 occupies a specialized niche compared to more conventional, highly stable cathode materials like LiCoO2. While LiCoO2 is widely utilized for its robust performance, LiFeCo3O8 represents a more complex, metastable alternative that highlights the structural diversity possible when substituting transition metals within the lithium-oxide framework.
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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