Li3V4CrO8
Li3V4CrO8 is a metastable, semiconducting quaternary oxide containing lithium, vanadium, chromium, and oxygen.
About Li3V4CrO8
Li3V4CrO8 is a complex quaternary oxide composed of lithium, vanadium, chromium, and oxygen. As a semiconducting material, it exhibits electronic properties that make it an intriguing subject for research into transition metal oxide systems. Its metastable nature suggests a unique structural landscape that requires precise synthesis conditions to access and stabilize for experimental study. Given the multiple reported structures identified in databases, this compound represents a versatile system for exploring phase stability and structural transitions in mixed-metal oxides. Its potential utility lies in its ability to host lithium ions within a transition metal framework, positioning it as a candidate for further investigation in electrochemical or solid-state applications.
Key Properties
Cross-validated computational properties for Li3V4CrO8, 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 Li3V4CrO8, 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/m (No. 12) | monoclinic | 0.58 | 0.0468 | -8.051 | 4.24 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.24 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.62 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.46 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li3V4CrO8 is used.
Frequently Asked Questions
Common questions about Li3V4CrO8, answered from cross-validated data.
What is Li3V4CrO8?
Li3V4CrO8 is a metastable, semiconducting quaternary oxide containing lithium, vanadium, chromium, and oxygen.
What is Li3V4CrO8 used for?
What is the band gap of Li3V4CrO8?
Is Li3V4CrO8 a metal, semiconductor, or insulator?
Is Li3V4CrO8 thermodynamically stable?
What is the crystal structure of Li3V4CrO8?
What is the density of Li3V4CrO8?
How many polymorphs of Li3V4CrO8 are known?
What elements does Li3V4CrO8 contain?
Where does the data for Li3V4CrO8 come from?
How It Compares
As a unique quaternary oxide, Li3V4CrO8 occupies a specialized niche within the broader landscape of lithium-transition metal oxides. Unlike more common binary or ternary oxides, this compound leverages the synergistic effects of both vanadium and chromium to tune its electronic and structural behavior. It stands out as a complex, metastable phase that offers a distinct alternative to simpler, more thermodynamically stable oxides typically found in this class.
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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