Li4V3Cr3O12
Li4V3Cr3O12 is a metastable, semiconducting quaternary oxide composed of lithium, vanadium, chromium, and oxygen.
About Li4V3Cr3O12
Li4V3Cr3O12 is a complex oxide featuring a mix of lithium, vanadium, chromium, and oxygen. As a metastable compound, it represents a specialized structural configuration that offers unique pathways for investigation in solid-state chemistry and materials design.
This material exhibits semiconducting electronic characteristics, positioning it as an interesting candidate for electronic or electrochemical studies. Its existence across multiple structural databases highlights its significance as a subject of ongoing experimental and computational interest.
Key Properties
Cross-validated computational properties for Li4V3Cr3O12, 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 Li4V3Cr3O12, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.18 | 0.0548 | -8.008 | 3.88 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.88 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.28 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.07 |
| P-1 (No. 2) | — | — | — | — | — |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Li4V3Cr3O12 is used.
Frequently Asked Questions
Common questions about Li4V3Cr3O12, answered from cross-validated data.
What is Li4V3Cr3O12?
Li4V3Cr3O12 is a metastable, semiconducting quaternary oxide composed of lithium, vanadium, chromium, and oxygen.
What is Li4V3Cr3O12 used for?
What is the band gap of Li4V3Cr3O12?
Is Li4V3Cr3O12 a metal, semiconductor, or insulator?
Is Li4V3Cr3O12 thermodynamically stable?
What is the crystal structure of Li4V3Cr3O12?
What is the density of Li4V3Cr3O12?
How many polymorphs of Li4V3Cr3O12 are known?
What elements does Li4V3Cr3O12 contain?
Where does the data for Li4V3Cr3O12 come from?
How It Compares
As a unique quaternary oxide, Li4V3Cr3O12 serves as an exploratory member of the broader family of lithium-transition metal oxides. Without direct structural siblings in this specific composition, it stands as a distinct point of study for understanding how the interplay between vanadium and chromium influences the stability and electronic behavior of complex oxide frameworks.
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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