ReI3
Rhenium triiodide is a stable, semiconducting inorganic compound composed of rhenium and iodine.
About ReI3
Rhenium triiodide is a distinct inorganic halide compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of rhenium and iodine atoms that maintains structural integrity under standard conditions. The compound is of significant interest in materials science due to its structural complexity, as evidenced by the numerous reported crystallographic arrangements. Its stability and electronic properties make it a subject of ongoing investigation for researchers focused on transition metal halides.
Key Properties
Cross-validated computational properties for ReI3, 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.
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 ReI3, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 0.95 | 0.0000 | -4.604 | 5.86 |
| R3m (No. 160) | Trigonal | — | — | — | 8.50 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.62 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.73 |
| P1 (No. 1) | Triclinic | — | — | — | 6.69 |
| P1 (No. 1) | Triclinic | — | — | — | 6.65 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.79 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.51 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.48 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 8.95 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 6.43 |
| Cm (No. 8) | Monoclinic | — | — | — | 13.32 |
Applications
Where ReI3 is used.
Frequently Asked Questions
Common questions about ReI3, answered from cross-validated data.
What is ReI3?
Rhenium triiodide is a stable, semiconducting inorganic compound composed of rhenium and iodine.
What is ReI3 used for?
What is the band gap of ReI3?
Is ReI3 a metal, semiconductor, or insulator?
Is ReI3 thermodynamically stable?
What is the crystal structure of ReI3?
What is the density of ReI3?
How many polymorphs of ReI3 are known?
What elements does ReI3 contain?
Where does the data for ReI3 come from?
How It Compares
As a unique transition metal halide, rhenium triiodide serves as a fundamental reference point for understanding the bonding and structural behavior of rhenium-based systems. While it exists as a standalone entry in this context, it exemplifies the structural diversity found in heavy transition metal halides, providing a baseline for comparing the stability and electronic characteristics of related binary iodides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze ReI3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →