Li4V2F9
Li4V2F9 is a metastable semiconducting fluoride compound containing lithium and vanadium.
About Li4V2F9
Li4V2F9 is a complex fluoride compound composed of lithium, vanadium, and fluorine. As a semiconducting material, it represents an intriguing subject for research into ion-conducting frameworks and solid-state chemistry.
Because the compound is metastable, it offers unique pathways for synthesis and structural transformation. Its existence across multiple reported structures highlights its significance in exploring diverse coordination environments within the metal-fluoride landscape.
Key Properties
Cross-validated computational properties for Li4V2F9, 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 Li4V2F9, 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-3c1 (No. 165) | trigonal | 0.97 | 0.0370 | -5.994 | 3.09 |
| P-3c1 (No. 165) | Trigonal | — | — | — | 3.09 |
| P-3c1 (No. 165) | Trigonal | — | — | — | 3.29 |
| P-3c1 (No. 165) | Trigonal | — | — | — | 3.27 |
| P-3c1 (No. 165) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Li4V2F9, answered from cross-validated data.
What is Li4V2F9?
Li4V2F9 is a metastable semiconducting fluoride compound containing lithium and vanadium.
What is the band gap of Li4V2F9?
Is Li4V2F9 a metal, semiconductor, or insulator?
Is Li4V2F9 thermodynamically stable?
What is the crystal structure of Li4V2F9?
What is the density of Li4V2F9?
How many polymorphs of Li4V2F9 are known?
What elements does Li4V2F9 contain?
Where does the data for Li4V2F9 come from?
How It Compares
As a unique fluoride-based material, Li4V2F9 serves as a specialized example of vanadium-lithium systems. It occupies a distinct niche in materials science, focusing on the interplay between transition metal oxidation states and halide frameworks, providing a foundation for understanding broader classes of metastable inorganic solids.
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).
Analyze Li4V2F9 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →