Li4VO4F
This compound is a lithium vanadium oxyfluoride material primarily investigated for its potential as an electrode component in advanced energy storage systems. It is designed to facilitate the movement of lithium ions, making it a subject of research for improving the performance and stability of rechargeable battery technologies.
Key Properties
Cross-validated computational properties for Li4VO4F, 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 Li4VO4F, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 4.06 | 0.0292 | -6.449 | 2.30 |
| P21 (No. 4) | monoclinic | 3.91 | 0.0652 | -6.412 | 2.24 |
| Cc (No. 9) | — | — | — | — | — |
| P21 (No. 4) | — | — | — | — | — |
| Cc (No. 9) | Monoclinic | — | — | — | 2.43 |
| Cc (No. 9) | Monoclinic | — | — | — | 2.30 |
| Cc (No. 9) | Monoclinic | — | — | — | 2.36 |
Applications
Where Li4VO4F is used.
Frequently Asked Questions
Common questions about Li4VO4F, answered from cross-validated data.
What is Li4VO4F?
This compound is a lithium vanadium oxyfluoride material primarily investigated for its potential as an electrode component in advanced energy storage systems. It is designed to facilitate the movement of lithium ions, making it a subject of research for improving the performance and stability of rechargeable battery technologies.
What is Li4VO4F used for?
What is the band gap of Li4VO4F?
Is Li4VO4F a metal, semiconductor, or insulator?
Is Li4VO4F thermodynamically stable?
What is the crystal structure of Li4VO4F?
What is the density of Li4VO4F?
How many polymorphs of Li4VO4F are known?
What elements does Li4VO4F contain?
Where does the data for Li4VO4F 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).
- mpaloe — Data from mpaloe.
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