V4OF11
This compound is a complex inorganic material containing vanadium, oxygen, and fluorine. It is primarily utilized in specialized chemical research and materials science studies focused on structural chemistry and solid-state synthesis.
FOV
Overview
Key Properties
Cross-validated computational properties for V4OF11, 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.
0.58–2.08 eV
Range across DFT structures
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.
0.002 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
53
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for V4OF11, 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-1 (No. 2) | triclinic | 1.59 | 0.0024 | -7.027 | 3.58 |
| C2 (No. 5) | monoclinic | 1.73 | 0.0025 | -7.027 | 3.60 |
| P1 (No. 1) | triclinic | 1.51 | 0.0026 | -7.027 | 3.60 |
| P1 (No. 1) | triclinic | 1.62 | 0.0026 | -7.027 | 3.60 |
| P-1 (No. 2) | triclinic | 1.49 | 0.0027 | -7.027 | 3.28 |
| P-1 (No. 2) | triclinic | 1.55 | 0.0027 | -7.027 | 3.61 |
| P-1 (No. 2) | triclinic | 1.53 | 0.0028 | -7.027 | 3.28 |
| C2 (No. 5) | monoclinic | 1.47 | 0.0029 | -7.027 | 3.61 |
| P1 (No. 1) | triclinic | 1.57 | 0.0030 | -7.026 | 3.60 |
| P1 (No. 1) | triclinic | 1.43 | 0.0031 | -7.026 | 3.28 |
| P1 (No. 1) | triclinic | 1.54 | 0.0031 | -7.026 | 3.62 |
| P1 (No. 1) | triclinic | 2.08 | 0.0033 | -7.026 | 3.63 |
Uses
Applications
Where V4OF11 is used.
Materials science researchSolid-state chemistry studiesInorganic synthesis
Reference
Frequently Asked Questions
Common questions about V4OF11, answered from cross-validated data.
What is V4OF11?
This compound is a complex inorganic material containing vanadium, oxygen, and fluorine. It is primarily utilized in specialized chemical research and materials science studies focused on structural chemistry and solid-state synthesis.
More questions
What is V4OF11 used for?
V4OF11 is used in materials science research, solid-state chemistry studies, and inorganic synthesis.
What is the band gap of V4OF11?
V4OF11 has a DFT-computed band gap of 0.58–2.08 eV across 53 reported structures.
Is V4OF11 a metal, semiconductor, or insulator?
With a band gap up to 2.08 eV it is a semiconductor.
Is V4OF11 thermodynamically stable?
V4OF11 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
What is the crystal structure of V4OF11?
The lowest-energy reported polymorph of V4OF11 is triclinic symmetry, space group P-1 (No. 2).
What is the density of V4OF11?
The computed density of the ground-state structure of V4OF11 is 3.58 g/cm³.
How many polymorphs of V4OF11 are known?
53 structures of V4OF11 are reported across 3 databases, spanning 4 distinct space groups.
What elements does V4OF11 contain?
V4OF11 contains F, O, and V (3 elements).
Where does the data for V4OF11 come from?
V4OF11 data is cross-referenced from materials_project, mpaloe.
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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