Li3V5O12
Li3V5O12 is a metastable semiconducting lithium vanadium oxide used primarily in advanced materials research for electrochemical energy storage.
About Li3V5O12
Li3V5O12 is a semiconducting lithium oxide that exists in a metastable state. Its unique electronic configuration and structural flexibility make it a subject of significant interest for researchers investigating complex transition metal oxides for energy storage applications. The material is characterized by its distinct vanadium-oxygen framework, which influences its electrochemical behavior and stability profile. Given its metastable nature, it represents a specialized phase within the broader family of lithium-based oxides, offering insights into synthetic pathways and phase transitions. It is primarily studied for its potential utility in high-performance electrode systems where vanadium-based redox chemistry can be leveraged.
Key Properties
Cross-validated computational properties for Li3V5O12, 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 Li3V5O12, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.58 | 0.0544 | -7.986 | 3.00 |
| C2 (No. 5) | monoclinic | 1.62 | 0.0699 | -7.971 | 3.20 |
| P1 (No. 1) | triclinic | 0.82 | 0.0942 | -7.946 | 3.90 |
| P1 (No. 1) | triclinic | 1.11 | 0.0984 | -7.942 | 3.61 |
| C2 (No. 5) | monoclinic | 1.26 | 0.1011 | -7.940 | 3.05 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.20 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.51 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.33 |
| P1 (No. 1) | — | — | — | — | — |
| C2 (No. 5) | — | — | — | — | — |
Applications
Where Li3V5O12 is used.
Frequently Asked Questions
Common questions about Li3V5O12, answered from cross-validated data.
What is Li3V5O12?
Li3V5O12 is a metastable semiconducting lithium vanadium oxide used primarily in advanced materials research for electrochemical energy storage.
What is Li3V5O12 used for?
What is the band gap of Li3V5O12?
Is Li3V5O12 a metal, semiconductor, or insulator?
Is Li3V5O12 thermodynamically stable?
What is the crystal structure of Li3V5O12?
What is the density of Li3V5O12?
How many polymorphs of Li3V5O12 are known?
What elements does Li3V5O12 contain?
Where does the data for Li3V5O12 come from?
How It Compares
Within the lithium oxides class.
Unlike the highly stable and commercially ubiquitous LiCoO2 or LiMn2O4, which serve as foundational cathode materials, Li3V5O12 is a metastable phase that requires more careful synthetic control. It shares a structural kinship with LiV3O8, another vanadium-rich oxide, but occupies a different region of the lithium-vanadium-oxygen phase space, making it a distinct candidate for exploring alternative intercalation mechanisms compared to the more common layered oxides like LiNiO2.
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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