Li3MnV3O8
Li3MnV3O8 is a semiconducting, metastable layered lithium transition-metal oxide used in research for potential battery electrode applications.
About Li3MnV3O8
Li3MnV3O8 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural configuration within the broader family of lithium-based oxide materials, offering distinct pathways for ion transport and structural stability during electrochemical cycling. Its composition, integrating lithium, manganese, and vanadium, allows for a versatile framework that is of significant interest for researchers investigating next-generation battery electrode materials. By balancing multiple transition metals within the oxygen lattice, the compound seeks to optimize the redox activity necessary for high-capacity energy storage applications. Its structural complexity and the presence of multiple metal centers make it a compelling candidate for studies focused on improving the durability and efficiency of lithium-ion systems.
Key Properties
Cross-validated computational properties for Li3MnV3O8, 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 Li3MnV3O8, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.03 | 0.0677 | -7.831 | 3.92 |
| C2/c (No. 15) | monoclinic | 0.67 | 0.0771 | -7.822 | 3.94 |
| R-3m (No. 166) | trigonal | 0.86 | 0.0781 | -7.821 | 3.95 |
| P-1 (No. 2) | triclinic | 0.39 | 0.0792 | -7.820 | 3.93 |
| Cm (No. 8) | monoclinic | 0.39 | 0.0981 | -7.801 | 3.68 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.95 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.17 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.36 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.68 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.04 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.90 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Li3MnV3O8 is used.
Frequently Asked Questions
Common questions about Li3MnV3O8, answered from cross-validated data.
What is Li3MnV3O8?
Li3MnV3O8 is a semiconducting, metastable layered lithium transition-metal oxide used in research for potential battery electrode applications.
What is Li3MnV3O8 used for?
What is the band gap of Li3MnV3O8?
Is Li3MnV3O8 a metal, semiconductor, or insulator?
Is Li3MnV3O8 thermodynamically stable?
What is the crystal structure of Li3MnV3O8?
What is the density of Li3MnV3O8?
How many polymorphs of Li3MnV3O8 are known?
What elements does Li3MnV3O8 contain?
Where does the data for Li3MnV3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse class of layered lithium transition-metal oxides, Li3MnV3O8 occupies a specialized niche compared to more conventional materials like LiCoO2 or LiMn2O4. While compounds like LiCoO2 are widely utilized for their robust performance in commercial cells, Li3MnV3O8 offers a more intricate structural arrangement that distinguishes it from simpler binary or ternary oxides like LiAlO2. Its metastable nature provides a different set of challenges and opportunities for structural tuning compared to the more thermodynamically stable members of the class, positioning it as a subject of intense academic interest for those looking to move beyond traditional cathode chemistries.
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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