V3O5F
V3O5F is a metastable semiconducting vanadium oxyfluoride used in fundamental solid-state materials research.
About V3O5F
V3O5F is a complex vanadium oxyfluoride characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural arrangement that bridges the gap between traditional oxides and fluorides, offering distinct chemical properties for materials science investigations.
Its existence is supported by a significant body of structural data, highlighting its relevance in solid-state chemistry. Researchers study this compound to understand how the incorporation of fluorine into the vanadium-oxygen framework influences charge transport and structural stability.
Key Properties
Cross-validated computational properties for V3O5F, 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 V3O5F, 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. |
|---|---|---|---|---|---|
| Pc (No. 7) | monoclinic | 0.57 | 0.0275 | -8.594 | 4.32 |
| Pmn21 (No. 31) | orthorhombic | 0.80 | 0.0289 | -8.593 | 4.57 |
| P21 (No. 4) | monoclinic | 0.32 | 0.0353 | -8.587 | 4.59 |
| Pm (No. 6) | monoclinic | 0.31 | 0.0413 | -8.581 | 4.59 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0420 | -8.580 | 4.59 |
| P-1 (No. 2) | triclinic | 0.53 | 0.0439 | -8.578 | 4.58 |
| P2/m (No. 10) | monoclinic | 0.38 | 0.0448 | -8.577 | 4.58 |
| C2/m (No. 12) | monoclinic | 0.55 | 0.0461 | -8.576 | 4.30 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0493 | -8.573 | 4.34 |
| C2/m (No. 12) | monoclinic | 0.88 | 0.0513 | -8.571 | 4.34 |
| P-1 (No. 2) | triclinic | 0.56 | 0.0533 | -8.569 | 4.34 |
| P1 (No. 1) | triclinic | 0.46 | 0.0536 | -8.568 | 4.31 |
Applications
Where V3O5F is used.
Frequently Asked Questions
Common questions about V3O5F, answered from cross-validated data.
What is V3O5F?
V3O5F is a metastable semiconducting vanadium oxyfluoride used in fundamental solid-state materials research.
What is V3O5F used for?
What is the band gap of V3O5F?
Is V3O5F a metal, semiconductor, or insulator?
Is V3O5F thermodynamically stable?
What is the crystal structure of V3O5F?
What is the density of V3O5F?
How many polymorphs of V3O5F are known?
What elements does V3O5F contain?
Where does the data for V3O5F come from?
How It Compares
As a specialized oxyfluoride, V3O5F occupies a niche position in materials research, serving as a model for studying the interplay between chalcogenide-like electronic behavior and anionic substitution in transition metal frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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