Li3V4O8
Li3V4O8 is a metastable semiconducting lithium vanadium oxide used in advanced materials research for electrochemical applications.
About Li3V4O8
Li3V4O8 is a complex lithium vanadium oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural configuration within the broader family of lithium-based oxides, offering distinct pathways for ion transport and electronic interaction.
This material is of significant interest in materials science due to the variable oxidation states of vanadium, which allow for flexible electrochemical activity. Its structural complexity, evidenced by multiple reported configurations, makes it a subject of ongoing investigation for next-generation energy storage devices.
Key Properties
Cross-validated computational properties for Li3V4O8, 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 Li3V4O8, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.10 | 0.0433 | -7.910 | 3.81 |
| C2/m (No. 12) | monoclinic | 1.10 | 0.0440 | -7.909 | 3.83 |
| C2/c (No. 15) | monoclinic | 1.01 | 0.0450 | -7.908 | 3.83 |
| C2/c (No. 15) | monoclinic | 0.93 | 0.0451 | -7.908 | 3.80 |
| P1 (No. 1) | triclinic | 0.94 | 0.0476 | -7.905 | 3.82 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0808 | -7.872 | 3.81 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.83 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.19 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.03 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Li3V4O8 is used.
Frequently Asked Questions
Common questions about Li3V4O8, answered from cross-validated data.
What is Li3V4O8?
Li3V4O8 is a metastable semiconducting lithium vanadium oxide used in advanced materials research for electrochemical applications.
What is Li3V4O8 used for?
What is the band gap of Li3V4O8?
Is Li3V4O8 a metal, semiconductor, or insulator?
Is Li3V4O8 thermodynamically stable?
What is the crystal structure of Li3V4O8?
What is the density of Li3V4O8?
How many polymorphs of Li3V4O8 are known?
What elements does Li3V4O8 contain?
Where does the data for Li3V4O8 come from?
How It Compares
Within the lithium oxides class.
Within the diverse class of lithium oxides, Li3V4O8 occupies a specialized niche compared to more conventional cathode materials like LiCoO2 or LiMn2O4. While those siblings are widely utilized for their robust stability in commercial batteries, Li3V4O8 is distinguished by its metastable nature and unique vanadium-oxygen framework, which contrasts with the more common layered or spinel structures found in LiNiO2 or Li2MnO3.
Related Compounds
Other Lithium 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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