V6O11F
V6O11F is a metastable, semiconducting vanadium oxyfluoride material characterized by its complex atomic structure.
About V6O11F
V6O11F is a complex vanadium oxyfluoride that exhibits semiconducting electronic behavior. As a metastable phase, it represents a specialized configuration of vanadium, oxygen, and fluorine atoms that exists in a delicate energetic state. Its structural complexity is highlighted by its presence in multiple crystallographic databases, reflecting significant interest in its atomic arrangement. This compound serves as a subject of investigation for researchers looking to understand how anion substitution influences the electronic landscape of vanadium-based materials. Its metastable nature suggests that it may be synthesized under specific non-equilibrium conditions, making it a target for advanced materials processing studies.
Key Properties
Cross-validated computational properties for V6O11F, 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 V6O11F, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.58 | 0.0526 | -8.683 | 4.63 |
| Amm2 (No. 38) | orthorhombic | 0.86 | 0.0565 | -8.679 | 4.34 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0588 | -8.677 | 4.38 |
| C2 (No. 5) | monoclinic | 0.59 | 0.0605 | -8.675 | 4.34 |
| Cm (No. 8) | monoclinic | 0.00 | 0.0623 | -8.673 | 4.38 |
| Amm2 (No. 38) | orthorhombic | 0.47 | 0.0647 | -8.671 | 4.37 |
| C2 (No. 5) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 4.94 |
| Amm2 (No. 38) | — | — | — | — | — |
| Amm2 (No. 38) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 4.90 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.93 |
Applications
Where V6O11F is used.
Frequently Asked Questions
Common questions about V6O11F, answered from cross-validated data.
What is V6O11F?
V6O11F is a metastable, semiconducting vanadium oxyfluoride material characterized by its complex atomic structure.
What is V6O11F used for?
What is the band gap of V6O11F?
Is V6O11F a metal, semiconductor, or insulator?
Is V6O11F thermodynamically stable?
What is the crystal structure of V6O11F?
What is the density of V6O11F?
How many polymorphs of V6O11F are known?
What elements does V6O11F contain?
Where does the data for V6O11F come from?
How It Compares
As a unique oxyfluoride, V6O11F occupies a distinct niche within the broader landscape of vanadium-based compounds. Unlike more common binary vanadium oxides, the incorporation of fluorine into the lattice creates a specific electronic environment that differentiates it from simpler vanadium-oxygen systems.
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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