LiV3OF11
This inorganic compound is a complex lithium vanadium oxyfluoride material studied primarily for its electrochemical properties. It is investigated as a potential cathode material in advanced battery systems due to its unique structural arrangement of vanadium, oxygen, and fluorine atoms.
Key Properties
Cross-validated computational properties for LiV3OF11, 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 LiV3OF11, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 1.46 | 0.0308 | -6.427 | 2.93 |
| P1 (No. 1) | triclinic | 1.87 | 0.0350 | -6.423 | 2.79 |
| P1 (No. 1) | triclinic | 1.46 | 0.0403 | -6.418 | 2.93 |
| P1 (No. 1) | triclinic | 1.30 | 0.0448 | -6.413 | 2.91 |
| P1 (No. 1) | triclinic | 1.80 | 0.0451 | -6.413 | 2.84 |
| Pc (No. 7) | monoclinic | 0.00 | 0.0536 | -6.405 | 2.98 |
| P1 (No. 1) | triclinic | 0.00 | 0.0544 | -6.404 | 2.87 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0557 | -6.402 | 2.95 |
| P1 (No. 1) | triclinic | 0.00 | 0.0560 | -6.402 | 2.89 |
| P1 (No. 1) | triclinic | 0.01 | 0.0590 | -6.399 | 2.88 |
| P1 (No. 1) | triclinic | 1.54 | 0.0591 | -6.399 | 2.94 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0594 | -6.399 | 2.92 |
Applications
Where LiV3OF11 is used.
Frequently Asked Questions
Common questions about LiV3OF11, answered from cross-validated data.
What is LiV3OF11?
This inorganic compound is a complex lithium vanadium oxyfluoride material studied primarily for its electrochemical properties. It is investigated as a potential cathode material in advanced battery systems due to its unique structural arrangement of vanadium, oxygen, and fluorine atoms.
What is LiV3OF11 used for?
What is the band gap of LiV3OF11?
Is LiV3OF11 a metal, semiconductor, or insulator?
Is LiV3OF11 thermodynamically stable?
What is the crystal structure of LiV3OF11?
What is the density of LiV3OF11?
How many polymorphs of LiV3OF11 are known?
What elements does LiV3OF11 contain?
Where does the data for LiV3OF11 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).
Analyze LiV3OF11 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →