Li7VO5F
This material is a lithium-based oxyfluoride compound primarily investigated for its potential role in energy storage technologies. It is designed to serve as a solid-state electrolyte or electrode component to improve the performance and safety of advanced battery systems.
Key Properties
Cross-validated computational properties for Li7VO5F, 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 Li7VO5F, 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 | 1.73 | 0.0438 | -5.870 | 2.25 |
| P-1 (No. 2) | triclinic | 1.83 | 0.0623 | -5.852 | 2.44 |
| P1 (No. 1) | triclinic | 1.99 | 0.0666 | -5.848 | 2.60 |
| P1 (No. 1) | triclinic | 1.98 | 0.0669 | -5.847 | 2.58 |
| P1 (No. 1) | triclinic | 1.88 | 0.0811 | -5.833 | 2.53 |
| P1 (No. 1) | triclinic | 1.04 | 0.7515 | -5.163 | 2.58 |
| P1 (No. 1) | triclinic | 1.38 | 0.9903 | -4.924 | 2.58 |
| P1 (No. 1) | Triclinic | — | — | — | 2.25 |
| P1 (No. 1) | Triclinic | — | — | — | 2.37 |
| P1 (No. 1) | Triclinic | — | — | — | 2.32 |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
Applications
Where Li7VO5F is used.
Frequently Asked Questions
Common questions about Li7VO5F, answered from cross-validated data.
What is Li7VO5F?
This material is a lithium-based oxyfluoride compound primarily investigated for its potential role in energy storage technologies. It is designed to serve as a solid-state electrolyte or electrode component to improve the performance and safety of advanced battery systems.
What is Li7VO5F used for?
What is the band gap of Li7VO5F?
Is Li7VO5F a metal, semiconductor, or insulator?
Is Li7VO5F thermodynamically stable?
What is the crystal structure of Li7VO5F?
What is the density of Li7VO5F?
How many polymorphs of Li7VO5F are known?
What elements does Li7VO5F contain?
Where does the data for Li7VO5F come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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