LiVO2
LiVO2 is a stable, semiconducting lithium oxide compound that serves as a valuable subject for research into next-generation electrochemical materials.
About LiVO2
LiVO2 is a thermodynamically stable member of the lithium oxide family that exhibits semiconducting electronic behavior. Its position on the convex hull suggests a robust structural integrity, making it a subject of significant interest for researchers investigating new electrode materials.
As a material with extensive structural data available, LiVO2 represents a versatile platform for studying ion transport and electronic properties. Its unique composition allows it to function within complex electrochemical systems, contributing to the broader understanding of lithium-based oxides in modern materials science.
Key Properties
Cross-validated computational properties for LiVO2, 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 LiVO2. 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 LiVO2, 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. |
|---|---|---|---|---|---|
| — | — | 1.92 | 0.0000 | -2.522 | — |
| R-3m (No. 166) | trigonal | 1.78 | 0.0000 | -7.716 | 4.25 |
| P-1 (No. 2) | triclinic | 0.39 | 0.0000 | -2.506 | — |
| P2/c (No. 13) | monoclinic | 1.69 | 0.0106 | -7.705 | 3.97 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0121 | -7.704 | 4.25 |
| I41/amd (No. 141) | tetragonal | 0.67 | 0.0236 | -7.692 | 4.01 |
| Imma (No. 74) | orthorhombic | 1.50 | 0.0268 | -7.689 | 3.98 |
| P222 (No. 16) | orthorhombic | 0.08 | 0.0357 | -7.680 | 4.01 |
| — | — | 0.62 | 0.0398 | -2.482 | — |
| P-1 (No. 2) | triclinic | 1.25 | 0.0481 | -7.668 | 3.93 |
| P63mc (No. 186) | hexagonal | 1.66 | 0.0499 | -7.666 | 3.88 |
| Cmc21 (No. 36) | orthorhombic | 1.57 | 0.0509 | -7.665 | 3.87 |
Synthesis Routes
Literature-extracted synthesis procedures targeting LiVO2.
Applications
Where LiVO2 is used.
Frequently Asked Questions
Common questions about LiVO2, answered from cross-validated data.
What is LiVO2?
LiVO2 is a stable, semiconducting lithium oxide compound that serves as a valuable subject for research into next-generation electrochemical materials.
What is LiVO2 used for?
What is the band gap of LiVO2?
Is LiVO2 a metal, semiconductor, or insulator?
Is LiVO2 thermodynamically stable?
What is the crystal structure of LiVO2?
What is the density of LiVO2?
How many polymorphs of LiVO2 are known?
How is LiVO2 synthesized?
What elements does LiVO2 contain?
Where does the data for LiVO2 come from?
How It Compares
Within the lithium oxides class.
Within the diverse class of lithium oxides, LiVO2 occupies a distinct niche compared to widely commercialized cathodes like LiCoO2 or LiMn2O4. While those materials are primarily recognized for their high-capacity performance in batteries, LiVO2 offers a different electronic profile that complements the structural diversity seen in other members such as Li2TiO3 or Li2MnO3.
Related Compounds
Other Lithium Oxides in the database.
Data sources & attribution
- 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)
- 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)
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