Li3MnV4O12
Li3MnV4O12 is a metastable, semiconducting layered lithium transition-metal oxide studied for its potential applications in advanced battery technologies.
About Li3MnV4O12
Li3MnV4O12 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a specialized configuration within the broader family of lithium-based oxide materials, drawing interest for its unique structural arrangement of lithium, manganese, vanadium, and oxygen atoms. Its existence across multiple reported structures highlights its significance in fundamental materials research.
This compound is primarily investigated for its potential utility in electrochemical energy storage systems. By leveraging the redox activity of its transition metal components, researchers examine how its specific lattice architecture influences ion diffusion and charge transfer processes, which are essential for developing next-generation battery technologies.
Key Properties
Cross-validated computational properties for Li3MnV4O12, 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 Li3MnV4O12, 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 (No. 5) | monoclinic | 1.38 | 0.0498 | -7.910 | 2.93 |
| P1 (No. 1) | triclinic | 0.80 | 0.0547 | -7.905 | 2.95 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0690 | -7.891 | 2.99 |
| P1 (No. 1) | triclinic | 1.13 | 0.0768 | -7.883 | 3.91 |
| P1 (No. 1) | — | — | — | — | — |
| C2 (No. 5) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.91 |
| P1 (No. 1) | Triclinic | — | — | — | 4.27 |
| P1 (No. 1) | Triclinic | — | — | — | 4.05 |
| P1 (No. 1) | Triclinic | — | — | — | 3.05 |
| P1 (No. 1) | Triclinic | — | — | — | 2.95 |
| P1 (No. 1) | Triclinic | — | — | — | 3.21 |
Applications
Where Li3MnV4O12 is used.
Frequently Asked Questions
Common questions about Li3MnV4O12, answered from cross-validated data.
What is Li3MnV4O12?
Li3MnV4O12 is a metastable, semiconducting layered lithium transition-metal oxide studied for its potential applications in advanced battery technologies.
What is Li3MnV4O12 used for?
What is the band gap of Li3MnV4O12?
Is Li3MnV4O12 a metal, semiconductor, or insulator?
Is Li3MnV4O12 thermodynamically stable?
What is the crystal structure of Li3MnV4O12?
What is the density of Li3MnV4O12?
How many polymorphs of Li3MnV4O12 are known?
What elements does Li3MnV4O12 contain?
Where does the data for Li3MnV4O12 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse class of layered lithium transition-metal oxides, Li3MnV4O12 occupies a niche position compared to widely commercialized materials like LiCoO2 or LiMn2O4. While those siblings are frequently utilized for their robust stability and established performance in standard batteries, Li3MnV4O12 is a metastable candidate that offers a different structural landscape, providing researchers with a distinct platform to explore alternative electrochemical pathways and ion-insertion behaviors.
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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