Li4Mn3CrO8
Li4Mn3CrO8 is a semiconducting, metastable layered oxide material utilized in the research and development of advanced lithium-ion battery cathodes.
About Li4Mn3CrO8
Li4Mn3CrO8 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase within this structural family, it represents a specialized composition often investigated for its unique electrochemical behavior and structural arrangement of lithium, manganese, and chromium ions.
This compound is primarily studied within the context of energy storage materials, where the precise arrangement of transition metals in the layered lattice influences ion mobility and structural integrity. Its role is centered on exploring how chemical substitution can tune the performance of cathode materials for next-generation lithium-ion batteries.
Key Properties
Cross-validated computational properties for Li4Mn3CrO8, 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 Li4Mn3CrO8, 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 | 0.96 | 0.0442 | -7.475 | 4.04 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.04 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.23 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li4Mn3CrO8 is used.
Frequently Asked Questions
Common questions about Li4Mn3CrO8, answered from cross-validated data.
What is Li4Mn3CrO8?
Li4Mn3CrO8 is a semiconducting, metastable layered oxide material utilized in the research and development of advanced lithium-ion battery cathodes.
What is Li4Mn3CrO8 used for?
What is the band gap of Li4Mn3CrO8?
Is Li4Mn3CrO8 a metal, semiconductor, or insulator?
Is Li4Mn3CrO8 thermodynamically stable?
What is the crystal structure of Li4Mn3CrO8?
What is the density of Li4Mn3CrO8?
How many polymorphs of Li4Mn3CrO8 are known?
What elements does Li4Mn3CrO8 contain?
Where does the data for Li4Mn3CrO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li4Mn3CrO8 occupies a niche position compared to widely commercialized benchmarks like LiCoO2 and LiMn2O4. While many of its siblings are prized for their high thermodynamic stability and established cycling performance, this compound is distinguished by its metastable nature, offering researchers a distinct structural platform to study the effects of chromium doping on manganese-based oxide frameworks.
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).
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