Li4V3FeO10
Li4V3FeO10 is a metastable semiconducting lithium vanadium iron oxide used in research for electrochemical and energy storage applications.
About Li4V3FeO10
Li4V3FeO10 is a complex quaternary oxide containing lithium, vanadium, iron, and oxygen. As a semiconducting material, it represents a unique intersection of transition metal chemistry and lithium-ion storage potential, characterized by its metastable nature which suggests specific synthesis pathways are required to stabilize its structure. The material has been identified across multiple structural databases, reflecting significant scientific interest in its atomic arrangement and potential for electronic applications. Its composition allows for diverse oxidation states among the metal centers, which is a key factor in its role as a functional semiconductor. This compound is primarily investigated for its utility in electrochemical systems where lithium mobility and redox activity are essential for performance.
Key Properties
Cross-validated computational properties for Li4V3FeO10, 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 Li4V3FeO10, 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-4m2 (No. 115) | tetragonal | 1.23 | 0.0804 | -7.475 | 3.15 |
| P-4m2 (No. 115) | — | — | — | — | — |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 3.42 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 3.15 |
| P-4m2 (No. 115) | Tetragonal | — | — | — | 3.24 |
| P-4m2 (No. 115) | — | — | — | — | — |
Applications
Where Li4V3FeO10 is used.
Frequently Asked Questions
Common questions about Li4V3FeO10, answered from cross-validated data.
What is Li4V3FeO10?
Li4V3FeO10 is a metastable semiconducting lithium vanadium iron oxide used in research for electrochemical and energy storage applications.
What is Li4V3FeO10 used for?
What is the band gap of Li4V3FeO10?
Is Li4V3FeO10 a metal, semiconductor, or insulator?
Is Li4V3FeO10 thermodynamically stable?
What is the crystal structure of Li4V3FeO10?
What is the density of Li4V3FeO10?
How many polymorphs of Li4V3FeO10 are known?
What elements does Li4V3FeO10 contain?
Where does the data for Li4V3FeO10 come from?
How It Compares
As a distinct member of the lithium-vanadium-iron oxide family, Li4V3FeO10 occupies a specialized role due to its specific stoichiometry and metastable electronic profile. Unlike more common, thermodynamically stable oxides in this class, this compound offers a unique structural framework that may provide alternative pathways for ion transport and charge storage in advanced battery architectures.
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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