V3OF11
V3OF11 is a semiconducting vanadium oxyfluoride compound that is considered likely to be synthesizable due to its near-hull stability.
About V3OF11
V3OF11 is a semiconducting vanadium oxyfluoride that exists in a state of near-hull thermodynamic stability. Its structural characteristics suggest it is a viable candidate for experimental synthesis and further exploration in materials science laboratories.
Given the significant number of reported structures across multiple databases, this compound serves as a noteworthy example of complex vanadium-based chemistry. Its electronic properties make it a subject of interest for researchers investigating potential applications in electronic or electrochemical devices.
Key Properties
Cross-validated computational properties for V3OF11, 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 V3OF11, 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 | 1.96 | 0.0104 | -6.448 | 3.35 |
| P21 (No. 4) | monoclinic | 2.01 | 0.0122 | -6.446 | 3.32 |
| P21 (No. 4) | monoclinic | 2.19 | 0.0160 | -6.442 | 3.34 |
| P1 (No. 1) | triclinic | 2.17 | 0.0161 | -6.442 | 3.33 |
| P1 (No. 1) | triclinic | 2.20 | 0.0161 | -6.442 | 3.34 |
| P-1 (No. 2) | triclinic | 2.22 | 0.0164 | -6.442 | 3.33 |
| P21 (No. 4) | monoclinic | 2.21 | 0.0166 | -6.441 | 3.35 |
| P-1 (No. 2) | triclinic | 2.19 | 0.0171 | -6.441 | 3.33 |
| P1 (No. 1) | triclinic | 1.77 | 0.0332 | -6.425 | 2.92 |
| P1 (No. 1) | triclinic | 1.56 | 0.0401 | -6.418 | 2.99 |
| P1 (No. 1) | triclinic | 1.58 | 0.0402 | -6.418 | 3.00 |
| P1 (No. 1) | triclinic | 1.65 | 0.0403 | -6.418 | 3.00 |
Applications
Where V3OF11 is used.
Frequently Asked Questions
Common questions about V3OF11, answered from cross-validated data.
What is V3OF11?
V3OF11 is a semiconducting vanadium oxyfluoride compound that is considered likely to be synthesizable due to its near-hull stability.
What is V3OF11 used for?
What is the band gap of V3OF11?
Is V3OF11 a metal, semiconductor, or insulator?
Is V3OF11 thermodynamically stable?
What is the crystal structure of V3OF11?
What is the density of V3OF11?
How many polymorphs of V3OF11 are known?
What elements does V3OF11 contain?
Where does the data for V3OF11 come from?
How It Compares
As a unique vanadium oxyfluoride, V3OF11 occupies a distinct position within the broader landscape of transition metal oxyfluorides. While many materials in this chemical space are explored for their redox capabilities, this compound is notable for its structural diversity and potential for synthesis.
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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