LiVOF2
LiVOF2 is a semiconducting oxyfluoride compound that is considered a likely candidate for successful laboratory synthesis.
About LiVOF2
LiVOF2 is a complex oxyfluoride material characterized by its semiconducting electronic behavior. Its composition, involving lithium, vanadium, oxygen, and fluorine, positions it as a subject of interest for researchers exploring novel solid-state architectures.
As a near-hull phase, this compound is considered a promising candidate for synthesis. Its structural profile suggests it may offer unique electrochemical or magnetic properties that are currently being investigated across multiple materials databases.
Key Properties
Cross-validated computational properties for LiVOF2, 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 LiVOF2, 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/c (No. 15) | monoclinic | 1.65 | 0.0209 | -6.919 | 3.22 |
| P-1 (No. 2) | triclinic | 1.98 | 0.0228 | -6.917 | 3.22 |
| P1 (No. 1) | triclinic | 1.08 | 0.0660 | -6.874 | 3.17 |
| Pc (No. 7) | monoclinic | 1.38 | 0.0799 | -6.860 | 3.34 |
| P1 (No. 1) | triclinic | 1.63 | 0.0866 | -6.853 | 2.99 |
| P1 (No. 1) | triclinic | 1.43 | 0.0920 | -6.848 | 3.46 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.22 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.48 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.39 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where LiVOF2 is used.
Frequently Asked Questions
Common questions about LiVOF2, answered from cross-validated data.
What is LiVOF2?
LiVOF2 is a semiconducting oxyfluoride compound that is considered a likely candidate for successful laboratory synthesis.
What is LiVOF2 used for?
What is the band gap of LiVOF2?
Is LiVOF2 a metal, semiconductor, or insulator?
Is LiVOF2 thermodynamically stable?
What is the crystal structure of LiVOF2?
What is the density of LiVOF2?
How many polymorphs of LiVOF2 are known?
What elements does LiVOF2 contain?
Where does the data for LiVOF2 come from?
How It Compares
As a distinct oxyfluoride, LiVOF2 represents a specialized niche in materials science. Without direct structural siblings in this specific class, it stands as a unique entry point for exploring the interplay between transition metal valence states and anionic substitution in complex lattice frameworks.
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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