Li2Mn3VO8
Li2Mn3VO8 is a metastable, semiconducting quaternary oxide containing lithium, manganese, vanadium, and oxygen, primarily studied for its potential in battery electrode applications.
About Li2Mn3VO8
Li2Mn3VO8 belongs to the class of layered lithium transition-metal oxides, characterized by its complex quaternary composition of lithium, manganese, vanadium, and oxygen. As a semiconducting material, it exhibits unique electronic properties that distinguish it from simpler binary or ternary oxides within the same structural family.
While this compound is considered metastable, its existence across multiple structural configurations highlights its interest in materials science research. It serves as a subject of investigation for those seeking to understand how multi-metal substitution influences the stability and electrochemical performance of lithium-based oxide frameworks.
Key Properties
Cross-validated computational properties for Li2Mn3VO8, 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 Li2Mn3VO8, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 1.03 | 0.0389 | -7.902 | 3.93 |
| P21 (No. 4) | monoclinic | 0.51 | 0.0442 | -7.896 | 3.92 |
| Cmc21 (No. 36) | orthorhombic | 0.40 | 0.0595 | -7.881 | 4.10 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0727 | -7.868 | 3.99 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 4.46 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.99 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.25 |
Applications
Where Li2Mn3VO8 is used.
Frequently Asked Questions
Common questions about Li2Mn3VO8, answered from cross-validated data.
What is Li2Mn3VO8?
Li2Mn3VO8 is a metastable, semiconducting quaternary oxide containing lithium, manganese, vanadium, and oxygen, primarily studied for its potential in battery electrode applications.
What is Li2Mn3VO8 used for?
What is the band gap of Li2Mn3VO8?
Is Li2Mn3VO8 a metal, semiconductor, or insulator?
Is Li2Mn3VO8 thermodynamically stable?
What is the crystal structure of Li2Mn3VO8?
What is the density of Li2Mn3VO8?
How many polymorphs of Li2Mn3VO8 are known?
What elements does Li2Mn3VO8 contain?
Where does the data for Li2Mn3VO8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li2Mn3VO8 represents a more complex, multi-cation approach compared to the well-established LiCoO2 or LiMn2O4. While siblings like LiNiO2 are widely utilized for their predictable electrochemical behavior, Li2Mn3VO8 offers a distinct structural landscape that deviates from the standard layered architectures, providing researchers with a unique platform to study the interplay of vanadium and manganese in lithium-ion environments.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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