Li4Ti3V3Cr2O16
Li4Ti3V3Cr2O16 is a metastable, semiconducting complex oxide containing lithium and multiple transition metals.
About Li4Ti3V3Cr2O16
Li4Ti3V3Cr2O16 is a complex multicomponent oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a specialized configuration of lithium, titanium, vanadium, chromium, and oxygen atoms that offers unique structural pathways for materials engineering.
This compound is of interest in fundamental studies of transition metal oxides where electronic properties are tuned through composition. Its existence across multiple databases highlights its role as a subject of ongoing investigation into the synthesis and stability of complex oxide frameworks.
Key Properties
Cross-validated computational properties for Li4Ti3V3Cr2O16, 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 Li4Ti3V3Cr2O16, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.89 | 0.0299 | -8.387 | 3.90 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.90 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.06 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.21 |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Li4Ti3V3Cr2O16 is used.
Frequently Asked Questions
Common questions about Li4Ti3V3Cr2O16, answered from cross-validated data.
What is Li4Ti3V3Cr2O16?
Li4Ti3V3Cr2O16 is a metastable, semiconducting complex oxide containing lithium and multiple transition metals.
What is Li4Ti3V3Cr2O16 used for?
What is the band gap of Li4Ti3V3Cr2O16?
Is Li4Ti3V3Cr2O16 a metal, semiconductor, or insulator?
Is Li4Ti3V3Cr2O16 thermodynamically stable?
What is the crystal structure of Li4Ti3V3Cr2O16?
What is the density of Li4Ti3V3Cr2O16?
How many polymorphs of Li4Ti3V3Cr2O16 are known?
What elements does Li4Ti3V3Cr2O16 contain?
Where does the data for Li4Ti3V3Cr2O16 come from?
How It Compares
As a unique multicomponent oxide, Li4Ti3V3Cr2O16 occupies a specialized position in the landscape of transition metal-based materials, serving as a distinct example of how complex stoichiometry influences semiconducting behavior in metastable systems.
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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