Li3V3CrO8
Li3V3CrO8 is a metastable semiconducting oxide containing lithium, vanadium, and chromium that is primarily studied for its potential in advanced electrochemical applications.
About Li3V3CrO8
Li3V3CrO8 is a complex oxide composed of lithium, vanadium, and chromium. This material exhibits semiconducting electronic character, making it an interesting candidate for investigation in advanced electrochemical systems where charge transport properties are critical. Its structural complexity is highlighted by multiple reported configurations across various databases. Being a metastable phase, Li3V3CrO8 requires careful synthesis control to stabilize its specific atomic arrangement. Its unique composition of transition metals suggests potential utility in applications requiring redox-active frameworks, particularly in the development of next-generation battery electrodes or catalytic materials.
Key Properties
Cross-validated computational properties for Li3V3CrO8, 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 Li3V3CrO8, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.91 | 0.0447 | -7.923 | 3.89 |
| Cm (No. 8) | monoclinic | 0.21 | 0.1043 | -7.864 | 3.72 |
| Cm (No. 8) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.25 |
| P1 (No. 1) | Triclinic | — | — | — | 3.89 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.94 |
| P1 (No. 1) | Triclinic | — | — | — | 4.09 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.72 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.09 |
Applications
Where Li3V3CrO8 is used.
Frequently Asked Questions
Common questions about Li3V3CrO8, answered from cross-validated data.
What is Li3V3CrO8?
Li3V3CrO8 is a metastable semiconducting oxide containing lithium, vanadium, and chromium that is primarily studied for its potential in advanced electrochemical applications.
What is Li3V3CrO8 used for?
What is the band gap of Li3V3CrO8?
Is Li3V3CrO8 a metal, semiconductor, or insulator?
Is Li3V3CrO8 thermodynamically stable?
What is the crystal structure of Li3V3CrO8?
What is the density of Li3V3CrO8?
How many polymorphs of Li3V3CrO8 are known?
What elements does Li3V3CrO8 contain?
Where does the data for Li3V3CrO8 come from?
How It Compares
As a unique lithium-vanadium-chromium oxide, this compound represents a specialized niche in inorganic materials science. While many transition metal oxides are highly stable, the metastable nature of this specific stoichiometry allows for unique structural flexibility that may be leveraged in future material design for energy storage applications.
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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