LiMn2O4
Lithium manganese oxide · LMO, spinel lithium manganese oxide
LiMn2O4 is a stable, semiconducting lithium manganese oxide widely utilized as a high-performance cathode material in rechargeable lithium-ion batteries.
About Lithium manganese oxide
LiMn2O4 is a thermodynamically stable lithium transition-metal oxide characterized by its semiconducting electronic nature. As a prominent member of the spinel-structured oxide family, it is highly valued for its ability to facilitate efficient ion transport while maintaining structural stability during electrochemical cycling.
This material plays a critical role in modern energy storage systems, serving as a foundational cathode component. Its widespread use is supported by extensive structural characterization, making it a well-understood and reliable choice for high-power density applications where thermal safety and cost-effectiveness are prioritized.
Key Properties
Cross-validated computational properties for Lithium manganese oxide, aggregated across 4 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LiMn2O4. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for LiMn2O4, 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 | 0.43 | 0.0000 | -7.786 | 4.04 |
| P1 (No. 1) | triclinic | 0.39 | 0.0050 | -7.781 | 4.01 |
| Fddd (No. 70) | orthorhombic | 0.00 | 0.0188 | -7.767 | 4.02 |
| P1 (No. 1) | triclinic | 0.35 | 0.0199 | -7.766 | 4.03 |
| Fddd (No. 70) | orthorhombic | 0.00 | 0.0241 | -7.762 | 4.05 |
| P63mc (No. 186) | hexagonal | 0.08 | 0.0274 | -7.759 | 4.13 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0450 | -7.741 | 4.58 |
| P-1 (No. 2) | triclinic | 1.05 | 0.0455 | -7.740 | 4.01 |
| R3m (No. 160) | trigonal | 0.31 | 0.0463 | -7.740 | 4.10 |
| C2/c (No. 15) | monoclinic | 0.66 | 0.0495 | -7.736 | 4.01 |
| P1 (No. 1) | triclinic | 0.54 | 0.0591 | -7.727 | 3.93 |
| Cc (No. 9) | monoclinic | 0.00 | 0.0591 | -7.727 | 4.32 |
Applications
Where Lithium manganese oxide is used.
Frequently Asked Questions
Common questions about Lithium manganese oxide, answered from cross-validated data.
What is LiMn2O4?
LiMn2O4 is a stable, semiconducting lithium manganese oxide widely utilized as a high-performance cathode material in rechargeable lithium-ion batteries.
What is LiMn2O4 used for?
What is the band gap of LiMn2O4?
Is LiMn2O4 a metal, semiconductor, or insulator?
Is LiMn2O4 thermodynamically stable?
What is the crystal structure of LiMn2O4?
What is the density of LiMn2O4?
How many polymorphs of LiMn2O4 are known?
What elements does LiMn2O4 contain?
Where does the data for LiMn2O4 come from?
Related Research
How It Compares
Within the layered lithium transition-metal oxides class.
Within the class of layered and spinel lithium transition-metal oxides, LiMn2O4 is distinguished by its unique structural framework compared to the layered configurations found in LiCoO2 or LiNiO2. While those counterparts are often favored for their high energy density, LiMn2O4 offers superior power capabilities and safety profiles, positioning it as a distinct alternative for applications requiring rapid charge and discharge rates.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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