LiV6O7F5
This inorganic compound is a complex lithium vanadium oxyfluoride material studied for its potential role in electrochemical energy storage systems. It is primarily investigated as a cathode material for advanced battery technologies due to its unique structural properties.
Key Properties
Cross-validated computational properties for LiV6O7F5, aggregated across 2 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 LiV6O7F5, 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 | 1.53 | 0.0569 | -8.048 | 4.19 |
| Pc (No. 7) | monoclinic | 1.28 | 0.0880 | -8.017 | 4.03 |
| P2 (No. 3) | monoclinic | 1.22 | 0.0893 | -8.016 | 4.03 |
| P1 (No. 1) | triclinic | 1.33 | 0.0904 | -8.014 | 4.02 |
| P1 (No. 1) | triclinic | 1.38 | 0.0919 | -8.013 | 4.04 |
| P1 (No. 1) | triclinic | 1.15 | 0.0936 | -8.011 | 4.03 |
| P1 (No. 1) | triclinic | 1.05 | 0.0944 | -8.010 | 3.97 |
| P1 (No. 1) | triclinic | 1.08 | 0.0949 | -8.010 | 4.01 |
| P1 (No. 1) | triclinic | 1.04 | 0.0966 | -8.008 | 4.03 |
| P1 (No. 1) | triclinic | 1.36 | 0.1003 | -8.005 | 4.03 |
| P1 (No. 1) | triclinic | 0.99 | 0.1006 | -8.004 | 4.05 |
| P1 (No. 1) | triclinic | 0.97 | 0.1027 | -8.002 | 3.99 |
Applications
Where LiV6O7F5 is used.
Frequently Asked Questions
Common questions about LiV6O7F5, answered from cross-validated data.
What is LiV6O7F5?
This inorganic compound is a complex lithium vanadium oxyfluoride material studied for its potential role in electrochemical energy storage systems. It is primarily investigated as a cathode material for advanced battery technologies due to its unique structural properties.
What is LiV6O7F5 used for?
What is the band gap of LiV6O7F5?
Is LiV6O7F5 a metal, semiconductor, or insulator?
Is LiV6O7F5 thermodynamically stable?
What is the crystal structure of LiV6O7F5?
What is the density of LiV6O7F5?
How many polymorphs of LiV6O7F5 are known?
What elements does LiV6O7F5 contain?
Where does the data for LiV6O7F5 come from?
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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