LiV2F7
LiV2F7 is a metastable semiconducting fluoride compound containing lithium and vanadium.
About LiV2F7
LiV2F7 is a complex fluoride compound characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural arrangement within the lithium-vanadium-fluorine system, offering researchers distinct insights into the coordination chemistry of transition metal fluorides.
Its significance lies in its structural diversity, with numerous reported configurations across various databases. This variability makes it a subject of interest for fundamental studies in solid-state chemistry, particularly where understanding the stability and electronic behavior of metastable fluorides is essential.
Key Properties
Cross-validated computational properties for LiV2F7, 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 LiV2F7, 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 | 2.12 | 0.0255 | -6.551 | 3.62 |
| Imma (No. 74) | orthorhombic | 1.85 | 0.0473 | -6.529 | 2.78 |
| Pc (No. 7) | monoclinic | 2.26 | 0.0736 | -6.503 | 2.82 |
| C2/c (No. 15) | monoclinic | 2.20 | 0.0796 | -6.497 | 3.14 |
| P2/c (No. 13) | monoclinic | 2.28 | 0.0885 | -6.488 | 2.75 |
| P-1 (No. 2) | triclinic | 2.10 | 0.0889 | -6.487 | 2.72 |
| Pnma (No. 62) | orthorhombic | 2.69 | 0.0912 | -6.485 | 3.40 |
| Cc (No. 9) | monoclinic | 2.67 | 0.0984 | -6.478 | 3.19 |
| P21/c (No. 14) | monoclinic | 1.74 | 0.1442 | -6.432 | 3.18 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.44 |
| Imma (No. 74) | Orthorhombic | — | — | — | 2.78 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.26 |
Applications
Where LiV2F7 is used.
Frequently Asked Questions
Common questions about LiV2F7, answered from cross-validated data.
What is LiV2F7?
LiV2F7 is a metastable semiconducting fluoride compound containing lithium and vanadium.
What is LiV2F7 used for?
What is the band gap of LiV2F7?
Is LiV2F7 a metal, semiconductor, or insulator?
Is LiV2F7 thermodynamically stable?
What is the crystal structure of LiV2F7?
What is the density of LiV2F7?
How many polymorphs of LiV2F7 are known?
What elements does LiV2F7 contain?
Where does the data for LiV2F7 come from?
How It Compares
As a unique fluoride compound, LiV2F7 serves as a distinct example of how lithium and vanadium can arrange within a fluorine-rich lattice. While it lacks direct structural siblings in this specific classification, it functions as a key reference point for exploring the broader landscape of metastable transition metal fluorides.
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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