LiV2O5
LiV2O5 is a semiconducting lithium vanadium oxide that is being studied for its potential utility in advanced electrochemical energy storage devices.
About LiV2O5
LiV2O5 is a semiconducting lithium oxide characterized by a rich structural landscape. Its position as a near-hull phase suggests it is a viable candidate for synthesis and further experimental investigation in materials science research. The compound is of significant interest for its role in energy storage systems, where its electronic properties and ability to accommodate lithium ions are leveraged to facilitate efficient charge transport and structural stability during electrochemical cycling.
Key Properties
Cross-validated computational properties for LiV2O5, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of LiV2O5. 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 LiV2O5, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.31 | 0.0000 | -2.534 | — |
| Pnma (No. 62) | orthorhombic | 1.63 | 0.0092 | -8.056 | 3.35 |
| — | — | 1.38 | 0.0134 | -2.408 | — |
| Pnma (No. 62) | orthorhombic | 1.20 | 0.0346 | -8.031 | 3.13 |
| Pmn21 (No. 31) | orthorhombic | 0.00 | 0.0399 | -2.495 | — |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0418 | -2.493 | — |
| — | — | 0.39 | 0.0429 | -2.379 | — |
| Cmcm (No. 63) | orthorhombic | 0.14 | 0.0452 | -2.489 | — |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0461 | -2.488 | — |
| — | — | 1.57 | 0.0468 | -2.375 | — |
| — | — | 0.39 | 0.0540 | -2.368 | — |
| Pmn21 (No. 31) | orthorhombic | 1.54 | 0.0600 | -8.005 | 3.08 |
Synthesis Routes
Literature-extracted synthesis procedures targeting LiV2O5.
Applications
Where LiV2O5 is used.
Patent Landscape
1 patent reference LiV2O5 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 7842273 | Method for the preparation of γLiV2O5 | — | — |
Frequently Asked Questions
Common questions about LiV2O5, answered from cross-validated data.
What is LiV2O5?
LiV2O5 is a semiconducting lithium vanadium oxide that is being studied for its potential utility in advanced electrochemical energy storage devices.
What is LiV2O5 used for?
What is the band gap of LiV2O5?
Is LiV2O5 a metal, semiconductor, or insulator?
Is LiV2O5 thermodynamically stable?
What is the crystal structure of LiV2O5?
How many polymorphs of LiV2O5 are known?
How is LiV2O5 synthesized?
What elements does LiV2O5 contain?
Where does the data for LiV2O5 come from?
How It Compares
Within the lithium oxides class.
Within the diverse class of lithium oxides, LiV2O5 occupies a distinct niche compared to well-established cathode materials like LiCoO2 or LiMn2O4. While those oxides are widely utilized for their robust performance in commercial batteries, LiV2O5 offers a different structural framework and electronic profile, sharing more in common with the complex vanadium-based oxide LiV3O8 in terms of its potential for multi-valent ion intercalation and flexible lattice dynamics.
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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