LiMnO2
lithium manganese dioxide · orthorhombic LiMnO2, o-LiMnO2
LiMnO2 is a stable, semiconducting layered oxide used extensively in research for advanced lithium-ion battery cathode technology.
About lithium manganese dioxide
LiMnO2 is a thermodynamically stable layered lithium transition-metal oxide that functions as a semiconducting material. Its robust structural framework and the abundance of reported configurations make it a significant subject of study for understanding ion transport and structural evolution in energy storage systems.
This compound is primarily investigated for its potential in high-capacity electrochemical applications. Its stability on the convex hull suggests a favorable energy landscape, positioning it as a key candidate for developing next-generation cathode materials that aim to balance performance with material availability.
Key Properties
Cross-validated computational properties for lithium manganese dioxide, aggregated across 6 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 LiMnO2. 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 LiMnO2, 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 | 1.19 | 0.0000 | -7.402 | 4.24 |
| — | — | 1.24 | 0.0000 | -2.119 | — |
| — | — | 1.03 | 0.0011 | -2.118 | — |
| I41/amd (No. 141) | tetragonal | 1.21 | 0.0019 | -7.400 | 4.24 |
| Pmmn (No. 59) | orthorhombic | 0.35 | 0.0153 | -7.386 | 4.23 |
| Pmm2 (No. 25) | orthorhombic | 0.98 | 0.0153 | -7.386 | 4.02 |
| Cm (No. 8) | monoclinic | 1.29 | 0.0163 | -7.385 | 4.01 |
| Pnma (No. 62) | orthorhombic | 1.04 | 0.0176 | -7.384 | 4.31 |
| Imma (No. 74) | orthorhombic | 0.49 | 0.0209 | -7.381 | 4.17 |
| Cm (No. 8) | monoclinic | 1.62 | 0.0220 | -7.380 | 3.94 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0234 | -2.016 | — |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0241 | -2.015 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting LiMnO2.
Applications
Where lithium manganese dioxide is used.
Patent Landscape
3 patents reference LiMnO2 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 5629112 | Stable form of LiMnO.sub.2 as cathode in lithium cell | — | — |
| 5506078 | Method of forming a stable form of LiMnO.sub.2 as cathode in lithium cell | — | — |
| 5747194 | Use of a stable form of LiMnO.sub.2 as cathode in lithium cell | — | — |
Frequently Asked Questions
Common questions about lithium manganese dioxide, answered from cross-validated data.
What is LiMnO2?
LiMnO2 is a stable, semiconducting layered oxide used extensively in research for advanced lithium-ion battery cathode technology.
What is LiMnO2 used for?
What is the band gap of LiMnO2?
Is LiMnO2 a metal, semiconductor, or insulator?
Is LiMnO2 thermodynamically stable?
What is the crystal structure of LiMnO2?
What is the density of LiMnO2?
How many polymorphs of LiMnO2 are known?
How is LiMnO2 synthesized?
What elements does LiMnO2 contain?
Where does the data for LiMnO2 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, LiMnO2 offers a distinct alternative to the widely commercialized LiCoO2. While LiCoO2 is the industry standard for traditional lithium-ion batteries, LiMnO2 is favored for its reliance on more abundant manganese, distinguishing it from nickel-rich counterparts like LiNiO2 and complex spinel structures such as LiMn2O4.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
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