Li4Mn3O8
Li4Mn3O8 is a metastable, semiconducting lithium manganese oxide used primarily in fundamental research regarding energy storage materials.
About Li4Mn3O8
Li4Mn3O8 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a metastable phase, it represents a complex arrangement of lithium, manganese, and oxygen atoms that offers unique structural insights into the behavior of manganese-based cathode materials.
This compound is of significant interest in materials science due to its structural relationship with other manganese-rich oxides. Its existence as a metastable phase highlights the intricate synthesis challenges and the diverse structural landscape present within the lithium-manganese-oxygen system.
Key Properties
Cross-validated computational properties for Li4Mn3O8, 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 Li4Mn3O8, 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. |
|---|---|---|---|---|---|
| R32 (No. 155) | trigonal | 1.75 | 0.0265 | -7.075 | 3.69 |
| R-3m (No. 166) | trigonal | 1.12 | 0.0385 | -7.063 | 3.65 |
| — | — | — | — | — | 2.87 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.65 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.97 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.81 |
Applications
Where Li4Mn3O8 is used.
Frequently Asked Questions
Common questions about Li4Mn3O8, answered from cross-validated data.
What is Li4Mn3O8?
Li4Mn3O8 is a metastable, semiconducting lithium manganese oxide used primarily in fundamental research regarding energy storage materials.
What is Li4Mn3O8 used for?
What is the band gap of Li4Mn3O8?
Is Li4Mn3O8 a metal, semiconductor, or insulator?
Is Li4Mn3O8 thermodynamically stable?
What is the crystal structure of Li4Mn3O8?
What is the density of Li4Mn3O8?
How many polymorphs of Li4Mn3O8 are known?
What elements does Li4Mn3O8 contain?
Where does the data for Li4Mn3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the family of layered lithium transition-metal oxides, Li4Mn3O8 occupies a distinct structural space compared to more common cathode materials like LiCoO2 or LiNiO2. While it shares chemical components with Li5Mn3O8 and Li3Mn4O8, its specific stoichiometry places it in a unique position regarding its thermodynamic stability and structural configuration, distinguishing it from the more widely utilized 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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
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