VCl5
Vanadium pentachloride · Vanadium(V) chloride
Vanadium pentachloride is a reactive inorganic compound containing vanadium in its highest oxidation state. It is primarily utilized as a chemical reagent in synthetic chemistry and as a precursor for the deposition of vanadium-based thin films.
Key Properties
Cross-validated computational properties for Vanadium pentachloride, 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 VCl5, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.04 | 0.0000 | -8.560 | 2.50 |
| P-1 (No. 2) | triclinic | 0.17 | 2.4102 | -6.150 | 2.23 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.23 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.30 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.27 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.94 |
| P-1 (No. 2) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 4.95 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.16 |
Applications
Where Vanadium pentachloride is used.
Frequently Asked Questions
Common questions about Vanadium pentachloride, answered from cross-validated data.
What is VCl5?
Vanadium pentachloride is a reactive inorganic compound containing vanadium in its highest oxidation state. It is primarily utilized as a chemical reagent in synthetic chemistry and as a precursor for the deposition of vanadium-based thin films.
What is VCl5 used for?
What is the band gap of VCl5?
Is VCl5 a metal, semiconductor, or insulator?
Is VCl5 thermodynamically stable?
What is the crystal structure of VCl5?
What is the density of VCl5?
How many polymorphs of VCl5 are known?
What elements does VCl5 contain?
Where does the data for VCl5 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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