LiV3O4
LiV3O4 is a semiconducting lithium vanadium oxide compound recognized for its structural complexity and potential for experimental synthesis.
About LiV3O4
LiV3O4 is a complex lithium vanadium oxide that exhibits semiconducting electronic behavior. As a near-hull material, it is considered a promising candidate for synthesis and further investigation within the broader family of lithium-based oxides.
Its structural diversity is highlighted by numerous reported configurations, suggesting a flexible lattice that may be tuned for specific electrochemical environments. This compound serves as a valuable subject for researchers exploring vanadium-based redox chemistry in solid-state systems.
Key Properties
Cross-validated computational properties for LiV3O4, 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 LiV3O4, 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. |
|---|---|---|---|---|---|
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0141 | -8.408 | 4.80 |
| P-1 (No. 2) | triclinic | 0.22 | 0.0158 | -8.406 | 4.65 |
| C2/m (No. 12) | monoclinic | 0.12 | 0.0164 | -8.406 | 4.67 |
| C2/m (No. 12) | monoclinic | 0.02 | 0.0182 | -8.404 | 4.73 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0184 | -8.404 | 4.64 |
| Cmm2 (No. 35) | orthorhombic | 0.43 | 0.0192 | -8.403 | 4.68 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0254 | -8.397 | 5.04 |
| P4/nmm (No. 129) | tetragonal | 0.14 | 0.0279 | -8.394 | 4.67 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0443 | -10.930 | 5.06 |
| Immm (No. 71) | orthorhombic | 0.00 | 0.0512 | -8.371 | 4.61 |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0533 | -8.369 | 4.66 |
| I4mm (No. 107) | tetragonal | 0.00 | 0.0598 | -8.362 | 4.66 |
Applications
Where LiV3O4 is used.
Frequently Asked Questions
Common questions about LiV3O4, answered from cross-validated data.
What is LiV3O4?
LiV3O4 is a semiconducting lithium vanadium oxide compound recognized for its structural complexity and potential for experimental synthesis.
What is LiV3O4 used for?
What is the band gap of LiV3O4?
Is LiV3O4 a metal, semiconductor, or insulator?
Is LiV3O4 thermodynamically stable?
What is the crystal structure of LiV3O4?
What is the density of LiV3O4?
How many polymorphs of LiV3O4 are known?
What elements does LiV3O4 contain?
Where does the data for LiV3O4 come from?
How It Compares
Within the lithium oxides class.
Within the class of lithium oxides, LiV3O4 occupies a distinct niche compared to well-established cathode materials like LiCoO2 or LiMn2O4. While those siblings are widely utilized for their robust performance in commercial batteries, LiV3O4 is primarily studied for its unique electronic properties and structural versatility, positioning it as a specialized alternative to more common oxides like Li2O or LiV3O8.
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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