VI3
Vanadium triiodide · Vanadium(III) iodide
Vanadium triiodide is a crystalline inorganic compound that serves as a source of vanadium in chemical synthesis. It is primarily utilized in research settings for the development of specialized catalysts and as a precursor for creating other vanadium-based materials.
Key Properties
Cross-validated computational properties for Vanadium triiodide, 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 VI3, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -4.076 | 3.99 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0049 | -4.071 | 3.93 |
| P21/m (No. 11) | monoclinic | 0.41 | 0.0746 | -22.516 | 3.91 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.23 |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.53 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.91 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 4.11 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.02 |
| P21 (No. 4) | Monoclinic | — | — | — | 4.36 |
| P2/m (No. 10) | Monoclinic | — | — | — | 8.20 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 4.78 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.64 |
Applications
Where Vanadium triiodide is used.
Frequently Asked Questions
Common questions about Vanadium triiodide, answered from cross-validated data.
What is VI3?
Vanadium triiodide is a crystalline inorganic compound that serves as a source of vanadium in chemical synthesis. It is primarily utilized in research settings for the development of specialized catalysts and as a precursor for creating other vanadium-based materials.
What is VI3 used for?
What is the band gap of VI3?
Is VI3 a metal, semiconductor, or insulator?
Is VI3 thermodynamically stable?
What is the crystal structure of VI3?
What is the density of VI3?
How many polymorphs of VI3 are known?
What elements does VI3 contain?
Where does the data for VI3 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 VI3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →