LiV2O4
LiV2O4 is a semiconducting lithium oxide compound that is considered thermodynamically accessible for experimental synthesis.
About LiV2O4
LiV2O4 is a semiconducting lithium oxide that occupies a notable position within the broader family of lithium-based ternary oxides. Its status as a near-hull material suggests it is a viable candidate for synthesis, making it a subject of interest for researchers investigating complex oxide phase spaces.
This compound is characterized by its distinct electronic behavior, which differentiates it from the more common insulating or metallic lithium oxides. Its structural versatility is evidenced by the multiple reported configurations found in materials databases, highlighting its potential utility in specialized electrochemical or solid-state applications.
Key Properties
Cross-validated computational properties for LiV2O4, 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 LiV2O4, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 0.69 | 0.0129 | -8.203 | 3.78 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0390 | -8.177 | 4.14 |
| P21/m (No. 11) | monoclinic | 0.91 | 0.0691 | -8.147 | 3.49 |
| P2/m (No. 10) | monoclinic | 0.45 | 0.0940 | -8.122 | 3.78 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.1232 | -8.093 | 3.86 |
| P2/m (No. 10) | — | — | — | — | — |
| Imma (No. 74) | Orthorhombic | — | — | — | 4.03 |
| Imma (No. 74) | Orthorhombic | — | — | — | 3.78 |
| Fd-3m (No. 227) | Cubic | — | — | — | 4.21 |
| Fd-3m (No. 227) | — | — | — | — | — |
Applications
Where LiV2O4 is used.
Frequently Asked Questions
Common questions about LiV2O4, answered from cross-validated data.
What is LiV2O4?
LiV2O4 is a semiconducting lithium oxide compound that is considered thermodynamically accessible for experimental synthesis.
What is LiV2O4 used for?
What is the band gap of LiV2O4?
Is LiV2O4 a metal, semiconductor, or insulator?
Is LiV2O4 thermodynamically stable?
What is the crystal structure of LiV2O4?
What is the density of LiV2O4?
How many polymorphs of LiV2O4 are known?
What elements does LiV2O4 contain?
Where does the data for LiV2O4 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials LiCoO2 and LiMn2O4, which are staples in commercial battery technology, LiV2O4 offers a different electronic profile that positions it as a more niche member of the lithium oxide class. While LiNiO2 is primarily valued for its high capacity in energy storage, LiV2O4 is more frequently studied for its fundamental semiconducting properties and structural complexity.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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