Li5VCr3O8
Li5VCr3O8 is a metastable, semiconducting lithium-vanadium-chromium oxide used in materials research.
About Li5VCr3O8
Li5VCr3O8 is a complex oxide featuring a mix of lithium, vanadium, and chromium. As a semiconducting material, it exhibits specific electronic properties that make it a subject of interest for researchers investigating new functional inorganic compounds.
Due to its metastable nature, this compound represents a unique structural configuration within its chemical family. Its existence across multiple structural databases highlights its significance in ongoing materials discovery efforts focused on multi-component oxide systems.
Key Properties
Cross-validated computational properties for Li5VCr3O8, 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 Li5VCr3O8, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.26 | 0.0845 | -7.384 | 3.97 |
| R-3m (No. 166) | trigonal | 0.68 | 0.0963 | -7.372 | 3.87 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 3.87 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.06 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.08 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Li5VCr3O8 is used.
Frequently Asked Questions
Common questions about Li5VCr3O8, answered from cross-validated data.
What is Li5VCr3O8?
Li5VCr3O8 is a metastable, semiconducting lithium-vanadium-chromium oxide used in materials research.
What is Li5VCr3O8 used for?
What is the band gap of Li5VCr3O8?
Is Li5VCr3O8 a metal, semiconductor, or insulator?
Is Li5VCr3O8 thermodynamically stable?
What is the crystal structure of Li5VCr3O8?
What is the density of Li5VCr3O8?
How many polymorphs of Li5VCr3O8 are known?
What elements does Li5VCr3O8 contain?
Where does the data for Li5VCr3O8 come from?
How It Compares
As a specialized multi-element oxide, Li5VCr3O8 occupies a distinct niche in the landscape of inorganic materials. While it lacks direct structural siblings in this specific classification, its composition reflects the broader trend of incorporating transition metals like vanadium and chromium into lithium-based matrices to tune electronic and electrochemical performance.
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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