Li3VCr3O8
Li3VCr3O8 is a metastable semiconducting oxide composed of lithium, vanadium, and chromium that is primarily used in advanced materials research.
About Li3VCr3O8
Li3VCr3O8 is a complex oxide featuring a combination of lithium, vanadium, and chromium. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental studies in solid-state chemistry and potential electrochemical applications.
This compound is characterized by its metastable nature, which highlights the delicate balance of its atomic arrangement. With numerous reported structures across multiple databases, it serves as a significant example of the structural complexity found in multi-metal oxide systems.
Key Properties
Cross-validated computational properties for Li3VCr3O8, 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 Li3VCr3O8, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.51 | 0.0378 | -7.953 | 3.98 |
| R-3m (No. 166) | trigonal | 1.27 | 0.0384 | -7.952 | 3.96 |
| P1 (No. 1) | triclinic | 1.51 | 0.0393 | -7.951 | 3.95 |
| C2/m (No. 12) | monoclinic | 1.41 | 0.0522 | -7.938 | 3.99 |
| P-1 (No. 2) | triclinic | 0.25 | 0.5775 | -7.413 | 3.99 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.99 |
| R-3m (No. 166) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.95 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.96 |
| P1 (No. 1) | Triclinic | — | — | — | 4.32 |
| P1 (No. 1) | Triclinic | — | — | — | 4.13 |
Applications
Where Li3VCr3O8 is used.
Frequently Asked Questions
Common questions about Li3VCr3O8, answered from cross-validated data.
What is Li3VCr3O8?
Li3VCr3O8 is a metastable semiconducting oxide composed of lithium, vanadium, and chromium that is primarily used in advanced materials research.
What is Li3VCr3O8 used for?
What is the band gap of Li3VCr3O8?
Is Li3VCr3O8 a metal, semiconductor, or insulator?
Is Li3VCr3O8 thermodynamically stable?
What is the crystal structure of Li3VCr3O8?
What is the density of Li3VCr3O8?
How many polymorphs of Li3VCr3O8 are known?
What elements does Li3VCr3O8 contain?
Where does the data for Li3VCr3O8 come from?
How It Compares
As a unique multi-metal oxide, Li3VCr3O8 represents a specialized case within the broader landscape of lithium-based transition metal oxides. Its metastable state distinguishes it from more common, highly stable battery materials, positioning it as a distinct subject for structural analysis and synthesis research.
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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