Li4FeCo3O8
Li4FeCo3O8 is a complex, semiconducting layered lithium transition-metal oxide that serves as a subject of structural research within the field of battery materials.
About Li4FeCo3O8
Li4FeCo3O8 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a complex oxide containing both iron and cobalt, it represents an intricate arrangement of transition metals within a lithium-rich framework.
While this material has been documented across multiple structural databases, its thermodynamic position above the hull suggests it is likely unstable under standard conditions. Its study contributes to the broader understanding of how mixed-metal substitution influences the stability and electronic properties of cathode-related materials.
Key Properties
Cross-validated computational properties for Li4FeCo3O8, 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 Li4FeCo3O8, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.96 | 0.1205 | -6.493 | 3.75 |
| R-3m (No. 166) | trigonal | 0.08 | 0.1465 | -6.467 | 4.62 |
| P1 (No. 1) | Triclinic | — | — | — | 3.58 |
| P1 (No. 1) | Triclinic | — | — | — | 3.79 |
| P1 (No. 1) | Triclinic | — | — | — | 3.75 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.62 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.26 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.00 |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where Li4FeCo3O8 is used.
Frequently Asked Questions
Common questions about Li4FeCo3O8, answered from cross-validated data.
What is Li4FeCo3O8?
Li4FeCo3O8 is a complex, semiconducting layered lithium transition-metal oxide that serves as a subject of structural research within the field of battery materials.
What is Li4FeCo3O8 used for?
What is the band gap of Li4FeCo3O8?
Is Li4FeCo3O8 a metal, semiconductor, or insulator?
Is Li4FeCo3O8 thermodynamically stable?
What is the crystal structure of Li4FeCo3O8?
What is the density of Li4FeCo3O8?
How many polymorphs of Li4FeCo3O8 are known?
What elements does Li4FeCo3O8 contain?
Where does the data for Li4FeCo3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Compared to highly stable and widely utilized commercial cathode materials like LiCoO2 or LiNiO2, Li4FeCo3O8 occupies a more precarious thermodynamic state. While siblings such as Li5Mn3O8 and Li3Mn4O8 demonstrate the structural diversity of lithium-rich oxides, Li4FeCo3O8 is distinguished by its specific iron-cobalt integration, which presents unique challenges for phase stability relative to simpler, single-transition-metal counterparts.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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