WI3
Tungsten triiodide is a binary inorganic compound consisting of tungsten and iodine. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of other tungsten-based materials.
IW
Overview
Key Properties
Cross-validated computational properties for WI3, aggregated across 2 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.
1.07 eV
Range across DFT structures
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.
0.047 eV/atom
Best (lowest) across sources
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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
22
2 databases, 9 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for WI3, 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. |
|---|---|---|---|---|---|
| P41212 (No. 92) | tetragonal | 1.07 | 0.0472 | -4.775 | 5.48 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.61 |
| Pc (No. 7) | Monoclinic | — | — | — | 5.18 |
| Pc (No. 7) | Monoclinic | — | — | — | 5.15 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.55 |
| P1 (No. 1) | Triclinic | — | — | — | 5.93 |
| Pm-3m (No. 221) | Cubic | — | — | — | 5.26 |
| Pm-3m (No. 221) | Cubic | — | — | — | 4.33 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 7.12 |
| Cm (No. 8) | Monoclinic | — | — | — | 9.21 |
| P1 (No. 1) | Triclinic | — | — | — | 5.50 |
| P1 (No. 1) | Triclinic | — | — | — | 7.48 |
Uses
Applications
Where WI3 is used.
Chemical synthesisMaterials science researchPrecursor for tungsten compounds
Reference
Frequently Asked Questions
Common questions about WI3, answered from cross-validated data.
What is WI3?
Tungsten triiodide is a binary inorganic compound consisting of tungsten and iodine. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of other tungsten-based materials.
More questions
What is WI3 used for?
WI3 is used in chemical synthesis, materials science research, and precursor for tungsten compounds.
What is the band gap of WI3?
WI3 has a DFT-computed band gap of 1.07 eV across 22 reported structures.
Is WI3 a metal, semiconductor, or insulator?
With a band gap up to 1.07 eV it is a semiconductor.
Is WI3 thermodynamically stable?
WI3 has a lowest energy above hull of 0.047 eV/atom (metastable).
What is the crystal structure of WI3?
The lowest-energy reported polymorph of WI3 is tetragonal symmetry, space group P41212 (No. 92).
What is the density of WI3?
The computed density of the ground-state structure of WI3 is 5.48 g/cm³.
How many polymorphs of WI3 are known?
22 structures of WI3 are reported across 2 databases, spanning 9 distinct space groups.
What elements does WI3 contain?
WI3 contains I and W (2 elements).
Where does the data for WI3 come from?
WI3 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze WI3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →