Li3Mn2VO6
Li3Mn2VO6 is a semiconducting, metastable layered lithium transition-metal oxide investigated for its potential role in electrochemical energy storage.
About Li3Mn2VO6
Li3Mn2VO6 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a metastable phase, it represents a complex structural arrangement that offers unique pathways for lithium-ion mobility within its lattice framework.
This compound is of significant interest in the development of next-generation electrode materials. Its specific atomic configuration and transition-metal composition make it a subject of ongoing investigation for high-capacity energy storage applications where structural stability and ion transport are critical.
Key Properties
Cross-validated computational properties for Li3Mn2VO6, 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 Li3Mn2VO6, 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 | 0.69 | 0.0935 | -7.488 | 3.97 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.97 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.15 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.27 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li3Mn2VO6 is used.
Frequently Asked Questions
Common questions about Li3Mn2VO6, answered from cross-validated data.
What is Li3Mn2VO6?
Li3Mn2VO6 is a semiconducting, metastable layered lithium transition-metal oxide investigated for its potential role in electrochemical energy storage.
What is Li3Mn2VO6 used for?
What is the band gap of Li3Mn2VO6?
Is Li3Mn2VO6 a metal, semiconductor, or insulator?
Is Li3Mn2VO6 thermodynamically stable?
What is the crystal structure of Li3Mn2VO6?
What is the density of Li3Mn2VO6?
How many polymorphs of Li3Mn2VO6 are known?
What elements does Li3Mn2VO6 contain?
Where does the data for Li3Mn2VO6 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li3Mn2VO6 occupies a distinct niche compared to more conventional, highly stable cathode materials like LiCoO2 or LiMn2O4. While siblings such as LiNiO2 are widely utilized for their established electrochemical performance, Li3Mn2VO6 is distinguished by its metastable nature, which provides a different structural landscape for lithium intercalation compared to the more common binary and ternary oxide structures.
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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