Li2MnV3O8
Li2MnV3O8 is a semiconducting layered lithium transition-metal oxide that serves as a candidate for advanced electrochemical energy storage research.
About Li2MnV3O8
Li2MnV3O8 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a material situated near the thermodynamic hull, it represents a promising candidate for synthesis and experimental investigation within the broader landscape of energy storage materials.
The structural diversity of this compound, supported by numerous reported configurations, highlights its flexibility as a host lattice. Its unique combination of manganese and vanadium within the oxide framework makes it a subject of interest for researchers seeking to optimize ionic transport and electrochemical performance in next-generation battery systems.
Key Properties
Cross-validated computational properties for Li2MnV3O8, aggregated across 2 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Li2MnV3O8. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Li2MnV3O8, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 1.57 | 0.0090 | -8.138 | 3.78 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0096 | -2.407 | — |
| R3 (No. 146) | trigonal | 1.51 | 0.0104 | -8.137 | 3.81 |
| P31c (No. 159) | trigonal | 1.35 | 0.0170 | -8.131 | 3.84 |
| R3 (No. 146) | trigonal | 1.64 | 0.0186 | -8.129 | 3.80 |
| R3c (No. 161) | trigonal | 1.65 | 0.0194 | -8.128 | 3.80 |
| Cc (No. 9) | monoclinic | 1.60 | 0.0197 | -8.128 | 3.81 |
| R3m (No. 160) | trigonal | 0.21 | 0.0238 | -2.393 | — |
| R3m (No. 160) | trigonal | 0.20 | 0.0238 | -2.393 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.0300 | -2.387 | — |
| P212121 (No. 19) | orthorhombic | 0.96 | 0.0325 | -8.115 | 3.82 |
| R3m (No. 160) | trigonal | 1.23 | 0.0327 | -8.115 | 3.80 |
Applications
Where Li2MnV3O8 is used.
Frequently Asked Questions
Common questions about Li2MnV3O8, answered from cross-validated data.
What is Li2MnV3O8?
Li2MnV3O8 is a semiconducting layered lithium transition-metal oxide that serves as a candidate for advanced electrochemical energy storage research.
What is Li2MnV3O8 used for?
What is the band gap of Li2MnV3O8?
Is Li2MnV3O8 a metal, semiconductor, or insulator?
Is Li2MnV3O8 thermodynamically stable?
What is the crystal structure of Li2MnV3O8?
What is the density of Li2MnV3O8?
How many polymorphs of Li2MnV3O8 are known?
What elements does Li2MnV3O8 contain?
Where does the data for Li2MnV3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li2MnV3O8 occupies a distinct niche compared to more conventional cathode materials like LiCoO2 or LiMn2O4. While those siblings are widely utilized for their established intercalation properties, Li2MnV3O8 offers a different chemical environment by incorporating vanadium, which alters the electronic landscape and potential redox behavior relative to manganese-rich counterparts like Li2MnO3.
Related Compounds
Other Layered Lithium Transition-Metal Oxides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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