LiMn4O8
LiMn4O8 is a metastable, semiconducting layered oxide containing lithium and manganese that is primarily studied for its structural complexity in energy storage research.
About LiMn4O8
LiMn4O8 is a metastable member of the layered lithium transition-metal oxide family. Characterized by a semiconducting electronic structure, this compound represents a complex arrangement of lithium, manganese, and oxygen atoms that has been extensively documented across multiple structural databases.
Its significance lies in its unique stoichiometry, which offers researchers insight into the structural diversity of manganese-based oxides. As a metastable phase, it serves as a critical subject for understanding phase transitions and stability in materials designed for electrochemical energy storage.
Key Properties
Cross-validated computational properties for LiMn4O8, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LiMn4O8. 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 LiMn4O8, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.00 | 0.0194 | -1.914 | — |
| Cm (No. 8) | monoclinic | 0.18 | 0.0301 | -7.938 | 4.04 |
| P21/c (No. 14) | monoclinic | 0.14 | 0.0342 | -7.934 | 4.02 |
| C2/m (No. 12) | monoclinic | 0.22 | 0.0369 | -7.931 | 3.94 |
| C2/m (No. 12) | monoclinic | 0.51 | 0.0431 | -7.925 | 4.02 |
| P213 (No. 198) | cubic | 0.00 | 0.0452 | -7.923 | 4.05 |
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.0455 | -7.923 | 4.30 |
| F-43m (No. 216) | cubic | 0.00 | 0.0487 | -7.920 | 4.51 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0620 | -1.871 | — |
| Cm (No. 8) | monoclinic | 0.00 | 0.0637 | -1.869 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0764 | -1.857 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0859 | -7.882 | 4.05 |
Applications
Where LiMn4O8 is used.
Frequently Asked Questions
Common questions about LiMn4O8, answered from cross-validated data.
What is LiMn4O8?
LiMn4O8 is a metastable, semiconducting layered oxide containing lithium and manganese that is primarily studied for its structural complexity in energy storage research.
What is LiMn4O8 used for?
What is the band gap of LiMn4O8?
Is LiMn4O8 a metal, semiconductor, or insulator?
Is LiMn4O8 thermodynamically stable?
What is the crystal structure of LiMn4O8?
What is the density of LiMn4O8?
How many polymorphs of LiMn4O8 are known?
What elements does LiMn4O8 contain?
Where does the data for LiMn4O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broader class of layered lithium transition-metal oxides, LiMn4O8 occupies a distinct niche compared to more conventional materials like LiCoO2 or LiNiO2. While those compounds are often prioritized for their high-voltage stability and commercial viability, LiMn4O8 is structurally more complex and less thermodynamically stable than the widely utilized spinel LiMn2O4, making it a specialized subject for fundamental solid-state chemistry studies.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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