LiVCoO4
LiVCoO4 is a semiconducting complex oxide composed of lithium, vanadium, cobalt, and oxygen that is investigated for its potential in electrochemical energy storage.
About LiVCoO4
LiVCoO4 belongs to the class of layered lithium transition-metal oxides, exhibiting semiconducting electronic properties. Its near-hull thermodynamic stability suggests it is a viable candidate for experimental synthesis and structural characterization.
As a complex oxide containing both vanadium and cobalt, this material represents a unique intersection of transition metals within a lithium-ion framework. Its structural diversity is highlighted by numerous reported configurations, making it a noteworthy subject for researchers exploring high-performance battery electrode materials.
Key Properties
Cross-validated computational properties for LiVCoO4, 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 LiVCoO4. 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 LiVCoO4, 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. |
|---|---|---|---|---|---|
| — | — | 2.01 | 0.0000 | -2.098 | — |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0081 | -2.068 | — |
| Imma (No. 74) | orthorhombic | 1.59 | 0.0096 | -7.538 | 4.11 |
| Cmcm (No. 63) | orthorhombic | 1.94 | 0.0112 | -7.536 | 3.83 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0267 | -2.050 | — |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0275 | -2.049 | — |
| P4322 (No. 95) | tetragonal | 1.47 | 0.0356 | -7.512 | 4.08 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0424 | -2.034 | — |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0443 | -2.032 | — |
| Pnma (No. 62) | orthorhombic | 2.19 | 0.0458 | -7.502 | 3.79 |
| P4322 (No. 95) | tetragonal | 0.00 | 0.0585 | -2.018 | — |
| Imma (No. 74) | orthorhombic | 0.00 | 0.2015 | -7.346 | 4.13 |
Synthesis Routes
Literature-extracted synthesis procedures targeting LiVCoO4.
Applications
Where LiVCoO4 is used.
Frequently Asked Questions
Common questions about LiVCoO4, answered from cross-validated data.
What is LiVCoO4?
LiVCoO4 is a semiconducting complex oxide composed of lithium, vanadium, cobalt, and oxygen that is investigated for its potential in electrochemical energy storage.
What is LiVCoO4 used for?
What is the band gap of LiVCoO4?
Is LiVCoO4 a metal, semiconductor, or insulator?
Is LiVCoO4 thermodynamically stable?
What is the crystal structure of LiVCoO4?
What is the density of LiVCoO4?
How many polymorphs of LiVCoO4 are known?
How is LiVCoO4 synthesized?
What elements does LiVCoO4 contain?
Where does the data for LiVCoO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the expansive family of layered lithium transition-metal oxides, LiVCoO4 occupies a specialized niche compared to more conventional materials like LiCoO2. While LiCoO2 serves as the industry standard for cathode performance, LiVCoO4 introduces a mixed-metal coordination environment that differentiates its electronic behavior from simpler oxides like LiAlO2 or the manganese-rich LiMn2O4.
Related Compounds
Other Layered Lithium Transition-Metal 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)
- 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)
- 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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