V6O7F5
This compound is a mixed-anion vanadium oxide fluoride material. It is primarily studied for its potential utility in electrochemical energy storage systems and advanced battery technologies.
FOV
Overview
Key Properties
Cross-validated computational properties for V6O7F5, 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.
0.26–1.32 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.
0.035 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
95
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for V6O7F5, 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 | 1.16 | 0.0354 | -8.246 | 4.15 |
| Pm (No. 6) | monoclinic | 0.28 | 0.0392 | -8.242 | 4.15 |
| P1 (No. 1) | triclinic | 0.64 | 0.0392 | -8.242 | 4.13 |
| P1 (No. 1) | triclinic | 0.83 | 0.0394 | -8.242 | 4.16 |
| C2 (No. 5) | monoclinic | 0.54 | 0.0402 | -8.241 | 4.16 |
| P1 (No. 1) | triclinic | 0.84 | 0.0414 | -8.240 | 4.14 |
| P1 (No. 1) | triclinic | 0.44 | 0.0430 | -8.238 | 4.16 |
| P1 (No. 1) | triclinic | 0.94 | 0.0439 | -8.237 | 4.14 |
| P1 (No. 1) | triclinic | 0.61 | 0.0449 | -8.236 | 4.16 |
| P1 (No. 1) | triclinic | 0.64 | 0.0462 | -8.235 | 4.13 |
| P1 (No. 1) | triclinic | 0.95 | 0.0477 | -8.233 | 4.17 |
| Cm (No. 8) | monoclinic | 0.80 | 0.0486 | -8.233 | 4.15 |
Uses
Applications
Where V6O7F5 is used.
Battery electrode researchElectrochemical energy storageMaterials science research
Reference
Frequently Asked Questions
Common questions about V6O7F5, answered from cross-validated data.
What is V6O7F5?
This compound is a mixed-anion vanadium oxide fluoride material. It is primarily studied for its potential utility in electrochemical energy storage systems and advanced battery technologies.
What is V6O7F5 used for?
V6O7F5 is used in battery electrode research, electrochemical energy storage, and materials science research.
What is the band gap of V6O7F5?
V6O7F5 has a DFT-computed band gap of 0.26–1.32 eV across 95 reported structures.
Is V6O7F5 a metal, semiconductor, or insulator?
With a band gap up to 1.32 eV it is a semiconductor.
Is V6O7F5 thermodynamically stable?
V6O7F5 has a lowest energy above hull of 0.035 eV/atom (metastable).
What is the crystal structure of V6O7F5?
The lowest-energy reported polymorph of V6O7F5 is triclinic symmetry, space group P1 (No. 1).
What is the density of V6O7F5?
The computed density of the ground-state structure of V6O7F5 is 4.15 g/cm³.
How many polymorphs of V6O7F5 are known?
95 structures of V6O7F5 are reported across 3 databases, spanning 5 distinct space groups.
What elements does V6O7F5 contain?
V6O7F5 contains F, O, and V (3 elements).
Where does the data for V6O7F5 come from?
V6O7F5 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.
Analyze V6O7F5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →