TeI4
TeI4 is a thermodynamically stable semiconducting compound composed of tellurium and iodine.
About TeI4
Tellurium tetraiodide is a thermodynamically stable binary halide that occupies a distinct position on the convex hull. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental solid-state research and specialized chemical synthesis.
With a high degree of structural diversity reported across multiple databases, this compound serves as a critical model for understanding bonding and coordination in heavy chalcogen-halide systems. Its stability and well-documented structural landscape facilitate its use in advanced inorganic chemistry applications.
Key Properties
Cross-validated computational properties for TeI4, 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 TeI4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.86 | 0.0000 | -2.273 | 4.30 |
| Pmn21 (No. 31) | orthorhombic | 1.88 | 0.0021 | -2.271 | 4.63 |
| P21/c (No. 14) | monoclinic | 1.76 | 0.0025 | -2.271 | 4.43 |
| I41/amd (No. 141) | tetragonal | 1.50 | 0.0069 | -2.266 | 4.64 |
| C2/m (No. 12) | monoclinic | 0.13 | 0.1020 | -2.171 | 4.54 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1662 | -2.107 | 3.91 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.71 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.64 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.45 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.57 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.60 |
Applications
Where TeI4 is used.
Frequently Asked Questions
Common questions about TeI4, answered from cross-validated data.
What is TeI4?
TeI4 is a thermodynamically stable semiconducting compound composed of tellurium and iodine.
What is TeI4 used for?
What is the band gap of TeI4?
Is TeI4 a metal, semiconductor, or insulator?
Is TeI4 thermodynamically stable?
What is the crystal structure of TeI4?
What is the density of TeI4?
How many polymorphs of TeI4 are known?
What elements does TeI4 contain?
Where does the data for TeI4 come from?
How It Compares
As a standalone representative of the tellurium-iodide system, TeI4 serves as a foundational reference point for heavy-element halide chemistry, providing essential insights into the structural motifs and electronic behaviors characteristic of this chemical class.
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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