LiMnFeO4
LiMnFeO4 is a semiconducting lithium transition-metal oxide being studied for potential use as an electrode material in battery systems.
About LiMnFeO4
LiMnFeO4 belongs to the class of layered lithium transition-metal oxides, exhibiting semiconducting electronic behavior. Its structural configuration suggests it is a near-hull compound, indicating it is likely synthesizable under appropriate laboratory conditions.
This material is primarily investigated for its potential role in electrochemical energy storage systems. By leveraging the redox activity of its transition metal components, it serves as a subject of interest for researchers aiming to optimize electrode performance in next-generation battery technologies.
Key Properties
Cross-validated computational properties for LiMnFeO4, 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 LiMnFeO4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.65 | 0.0073 | -7.560 | 4.06 |
| P4322 (No. 95) | tetragonal | 1.45 | 0.0645 | -7.503 | 4.21 |
| Imma (No. 74) | — | — | — | — | — |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.06 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.53 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.59 |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.97 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.21 |
| P4322 (No. 95) | Tetragonal | — | — | — | 4.41 |
Applications
Where LiMnFeO4 is used.
Frequently Asked Questions
Common questions about LiMnFeO4, answered from cross-validated data.
What is LiMnFeO4?
LiMnFeO4 is a semiconducting lithium transition-metal oxide being studied for potential use as an electrode material in battery systems.
What is LiMnFeO4 used for?
What is the band gap of LiMnFeO4?
Is LiMnFeO4 a metal, semiconductor, or insulator?
Is LiMnFeO4 thermodynamically stable?
What is the crystal structure of LiMnFeO4?
What is the density of LiMnFeO4?
How many polymorphs of LiMnFeO4 are known?
What elements does LiMnFeO4 contain?
Where does the data for LiMnFeO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, LiMnFeO4 occupies a unique position by incorporating both iron and manganese into the lattice. While established members like LiCoO2 and LiNiO2 are widely utilized as commercial cathode materials, LiMnFeO4 represents an exploratory alternative that seeks to balance cost and performance by diversifying the transition metal chemistry found in traditional oxides like LiMn2O4.
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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