Li2MnCr3O8
Li2MnCr3O8 is a metastable, semiconducting layered oxide containing lithium, manganese, and chromium used in materials science research.
About Li2MnCr3O8
Li2MnCr3O8 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural arrangement within the broader family of lithium-based oxide materials, offering distinct coordination environments for its constituent transition metals.
Its significance lies in its potential for structural tuning and electrochemical exploration. By incorporating both manganese and chromium into the lithium-oxide framework, researchers utilize this compound to study ion mobility and structural stability, which are critical factors for the development of next-generation energy storage systems.
Key Properties
Cross-validated computational properties for Li2MnCr3O8, 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 Li2MnCr3O8, 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. |
|---|---|---|---|---|---|
| P43212 (No. 96) | tetragonal | 0.97 | 0.0670 | -8.071 | 4.00 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0812 | -8.057 | 4.01 |
| C2221 (No. 20) | orthorhombic | 0.72 | 0.0904 | -8.047 | 3.99 |
| P4332 (No. 212) | cubic | 0.00 | 0.0918 | -8.046 | 4.09 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1238 | -8.014 | 3.94 |
| P63mc (No. 186) | hexagonal | 0.09 | 0.1243 | -8.014 | 4.17 |
| P-1 (No. 2) | triclinic | 0.58 | 0.1541 | -7.984 | 3.96 |
| R3m (No. 160) | trigonal | 0.30 | 0.1645 | -7.973 | 3.96 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.15 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.43 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.01 |
| R3m (No. 160) | Trigonal | — | — | — | 4.41 |
Applications
Where Li2MnCr3O8 is used.
Frequently Asked Questions
Common questions about Li2MnCr3O8, answered from cross-validated data.
What is Li2MnCr3O8?
Li2MnCr3O8 is a metastable, semiconducting layered oxide containing lithium, manganese, and chromium used in materials science research.
What is Li2MnCr3O8 used for?
What is the band gap of Li2MnCr3O8?
Is Li2MnCr3O8 a metal, semiconductor, or insulator?
Is Li2MnCr3O8 thermodynamically stable?
What is the crystal structure of Li2MnCr3O8?
What is the density of Li2MnCr3O8?
How many polymorphs of Li2MnCr3O8 are known?
What elements does Li2MnCr3O8 contain?
Where does the data for Li2MnCr3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse class of layered lithium transition-metal oxides, Li2MnCr3O8 occupies a specialized niche compared to more conventional materials like LiCoO2 or LiMn2O4. While compounds such as LiNiO2 are widely recognized for their commercial utility in high-energy batteries, Li2MnCr3O8 is studied primarily for its complex multi-metal cation arrangement, which offers a different approach to managing structural stability and electronic behavior than the simpler binary transition-metal systems.
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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