V2O3F
V2O3F is a semiconducting vanadium oxyfluoride compound that is considered a viable target for synthesis due to its favorable thermodynamic stability.
About V2O3F
V2O3F is a complex inorganic compound composed of vanadium, oxygen, and fluorine. As a semiconducting material, it exhibits electronic properties that bridge the gap between traditional oxides and fluorides, offering unique potential for electronic and electrochemical applications. Its status as a near-hull material suggests that it is thermodynamically accessible for synthesis in laboratory settings.
With a significant number of reported structures across major materials databases, V2O3F is a well-documented subject of structural exploration. This data richness indicates a high degree of interest in its crystalline arrangements and the influence of fluorine substitution on the vanadium-oxygen framework, which is critical for tailoring material performance.
Key Properties
Cross-validated computational properties for V2O3F, 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 V2O3F, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.80 | 0.0099 | -8.498 | 4.55 |
| Amm2 (No. 38) | orthorhombic | 1.16 | 0.0105 | -8.498 | 4.50 |
| C2 (No. 5) | monoclinic | 1.21 | 0.0123 | -8.496 | 4.52 |
| Cmcm (No. 63) | orthorhombic | 1.29 | 0.0139 | -8.494 | 4.52 |
| Amm2 (No. 38) | orthorhombic | 1.38 | 0.0144 | -8.494 | 4.51 |
| Imma (No. 74) | orthorhombic | 1.03 | 0.0149 | -8.493 | 4.48 |
| C2 (No. 5) | monoclinic | 1.22 | 0.0156 | -8.493 | 4.50 |
| Amm2 (No. 38) | orthorhombic | 1.25 | 0.0159 | -8.492 | 4.46 |
| Amm2 (No. 38) | orthorhombic | 1.25 | 0.0170 | -8.491 | 4.45 |
| Cmcm (No. 63) | orthorhombic | 1.18 | 0.0175 | -8.491 | 4.43 |
| P1 (No. 1) | triclinic | 0.75 | 0.0366 | -8.472 | 4.21 |
| Amm2 (No. 38) | orthorhombic | 0.05 | 0.0378 | -8.471 | 4.24 |
Applications
Where V2O3F is used.
Frequently Asked Questions
Common questions about V2O3F, answered from cross-validated data.
What is V2O3F?
V2O3F is a semiconducting vanadium oxyfluoride compound that is considered a viable target for synthesis due to its favorable thermodynamic stability.
What is V2O3F used for?
What is the band gap of V2O3F?
Is V2O3F a metal, semiconductor, or insulator?
Is V2O3F thermodynamically stable?
What is the crystal structure of V2O3F?
What is the density of V2O3F?
How many polymorphs of V2O3F are known?
What elements does V2O3F contain?
Where does the data for V2O3F come from?
How It Compares
As a distinct vanadium oxyfluoride, V2O3F serves as a unique entry point into the study of mixed-anion systems. While it currently stands as a singular focus in this context, it represents the broader class of oxyfluorides that are increasingly valued for their ability to tune electronic and structural properties through anion site engineering.
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).
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