FeLi3Mn3O8
FeLi3Mn3O8 is a metastable, semiconducting lithium transition-metal oxide used primarily in research for next-generation battery electrode materials.
About FeLi3Mn3O8
FeLi3Mn3O8 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 iron, lithium, and manganese within an oxygen framework, offering unique structural pathways for ion mobility.
This material is of significant interest in materials science due to its potential for tuning electrochemical properties through transition-metal substitution. Its existence in multiple reported structural configurations highlights its versatility as a subject for experimental and computational study in battery electrode development.
Key Properties
Cross-validated computational properties for FeLi3Mn3O8, 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 FeLi3Mn3O8, 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 | 0.21 | 0.0858 | -7.404 | 4.07 |
| P-1 (No. 2) | triclinic | 0.27 | 0.0868 | -7.403 | 4.06 |
| P1 (No. 1) | triclinic | 0.48 | 0.0975 | -7.393 | 4.30 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.1588 | -7.331 | 4.53 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1846 | -7.305 | 4.51 |
| — | — | — | — | — | 3.17 |
| — | — | — | — | — | — |
Applications
Where FeLi3Mn3O8 is used.
Frequently Asked Questions
Common questions about FeLi3Mn3O8, answered from cross-validated data.
What is FeLi3Mn3O8?
FeLi3Mn3O8 is a metastable, semiconducting lithium transition-metal oxide used primarily in research for next-generation battery electrode materials.
What is FeLi3Mn3O8 used for?
What is the band gap of FeLi3Mn3O8?
Is FeLi3Mn3O8 a metal, semiconductor, or insulator?
Is FeLi3Mn3O8 thermodynamically stable?
What is the crystal structure of FeLi3Mn3O8?
What is the density of FeLi3Mn3O8?
How many polymorphs of FeLi3Mn3O8 are known?
What elements does FeLi3Mn3O8 contain?
Where does the data for FeLi3Mn3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, FeLi3Mn3O8 occupies a specialized niche compared to more conventional materials like LiCoO2 or LiMn2O4. While siblings such as Li2MnO3 and Li5Mn3O8 are widely recognized for their roles in high-capacity cathode architectures, FeLi3Mn3O8 provides a distinct compositional variation by incorporating iron into the manganese-lithium lattice, offering a different approach to balancing stability and electrochemical performance.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- alexandria — Data from alexandria.
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