LiV4OF11
LiV4OF11 is a metastable semiconducting compound composed of lithium, vanadium, oxygen, and fluorine.
About LiV4OF11
LiV4OF11 is a complex quaternary compound composed of lithium, vanadium, oxygen, and fluorine. As a semiconducting material, it exhibits electronic properties that distinguish it from simple binary oxides or fluorides, making it a subject of interest for fundamental materials research.
Because this compound is classified as metastable, it represents a synthetic challenge that requires precise control over processing conditions. Its existence across multiple structural configurations highlights the structural flexibility inherent in vanadium-based oxyfluoride systems.
Key Properties
Cross-validated computational properties for LiV4OF11, 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 LiV4OF11, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 1.33 | 0.0410 | -6.902 | 3.30 |
| P1 (No. 1) | triclinic | 0.99 | 0.0413 | -6.901 | 3.29 |
| P1 (No. 1) | triclinic | 1.12 | 0.0435 | -6.899 | 3.29 |
| P1 (No. 1) | triclinic | 1.05 | 0.0444 | -6.898 | 3.31 |
| P1 (No. 1) | triclinic | 0.87 | 0.0488 | -6.894 | 3.34 |
| P1 (No. 1) | triclinic | 0.99 | 0.0509 | -6.892 | 3.30 |
| P1 (No. 1) | triclinic | 0.82 | 0.0514 | -6.891 | 3.29 |
| P1 (No. 1) | triclinic | 0.00 | 0.0515 | -6.891 | 3.35 |
| P-1 (No. 2) | triclinic | 1.35 | 0.0534 | -6.889 | 3.30 |
| C2 (No. 5) | monoclinic | 0.52 | 0.0548 | -6.888 | 3.31 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0564 | -6.886 | 3.31 |
| P1 (No. 1) | triclinic | 0.00 | 0.0652 | -6.877 | 3.27 |
Frequently Asked Questions
Common questions about LiV4OF11, answered from cross-validated data.
What is LiV4OF11?
LiV4OF11 is a metastable semiconducting compound composed of lithium, vanadium, oxygen, and fluorine.
What is the band gap of LiV4OF11?
Is LiV4OF11 a metal, semiconductor, or insulator?
Is LiV4OF11 thermodynamically stable?
What is the crystal structure of LiV4OF11?
What is the density of LiV4OF11?
How many polymorphs of LiV4OF11 are known?
What elements does LiV4OF11 contain?
Where does the data for LiV4OF11 come from?
How It Compares
As a unique quaternary oxyfluoride, LiV4OF11 occupies a specialized niche in materials science where the interplay between fluorine and oxygen anions significantly influences the electronic environment of the vanadium centers.
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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