LiVO3
lithium metavanadate · lithium vanadium trioxide
Lithium metavanadate is a thermodynamically stable, insulating lithium oxide compound used in solid-state research.
About lithium metavanadate
Lithium metavanadate is a thermodynamically stable member of the lithium oxide family. Characterized as a wide-gap insulator, it exhibits a robust structural framework that has been documented across numerous crystallographic studies, highlighting its significance in solid-state chemistry research.
This compound serves as a critical model for understanding lithium-vanadium-oxygen interactions. Its stability on the convex hull makes it a reliable subject for investigating ionic transport and structural phase transitions, which are essential for developing advanced materials in energy storage and electronic applications.
Key Properties
Cross-validated computational properties for lithium metavanadate, 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 LiVO3, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.03 | 0.0000 | -7.595 | 3.03 |
| C2/c (No. 15) | monoclinic | 2.84 | 0.0000 | -7.595 | 2.39 |
| C2/c (No. 15) | monoclinic | 2.71 | 0.0008 | -7.595 | 2.58 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0828 | -7.513 | 3.35 |
| C2 (No. 5) | monoclinic | 2.00 | 0.0853 | -7.510 | 3.26 |
| C2/m (No. 12) | monoclinic | 2.09 | 0.1113 | -7.484 | 3.21 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.39 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.58 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.45 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.82 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.89 |
Synthesis Routes
Literature-extracted synthesis procedures targeting LiVO3.
Applications
Where lithium metavanadate is used.
Frequently Asked Questions
Common questions about lithium metavanadate, answered from cross-validated data.
What is LiVO3?
Lithium metavanadate is a thermodynamically stable, insulating lithium oxide compound used in solid-state research.
What is LiVO3 used for?
What is the band gap of LiVO3?
Is LiVO3 a metal, semiconductor, or insulator?
Is LiVO3 thermodynamically stable?
What is the crystal structure of LiVO3?
What is the density of LiVO3?
How many polymorphs of LiVO3 are known?
How is LiVO3 synthesized?
What elements does LiVO3 contain?
Where does the data for LiVO3 come from?
How It Compares
Within the lithium oxides class.
Unlike the widely utilized cathode materials LiCoO2 and LiMn2O4, which are known for their metallic or semi-metallic behavior during charge-discharge cycles, LiVO3 functions primarily as a stable insulating phase. While siblings like LiV3O8 are frequently explored for their specific intercalation capabilities, LiVO3 stands out for its structural simplicity and thermodynamic robustness within the broader lithium oxide class.
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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