TeI
Tellurium monoiodide is a binary inorganic compound composed of tellurium and iodine. It is primarily studied in the context of fundamental solid-state chemistry and materials research regarding chalcogen halides.
ITe
Overview
Key Properties
Cross-validated computational properties for TeI, 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.
0.79 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.
0.000 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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
100
3 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for TeI, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.79 | 0.0000 | -2.605 | 5.12 |
| P-1 (No. 2) | triclinic | 0.78 | 0.0066 | -2.598 | 5.07 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.78 |
| C2/m (No. 12) | Monoclinic | — | — | — | 7.31 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.07 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.91 |
| P2/c (No. 13) | Monoclinic | — | — | — | 6.62 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.00 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.64 |
| Pma2 (No. 28) | Orthorhombic | — | — | — | 5.91 |
| P1 (No. 1) | Triclinic | — | — | — | 3.85 |
| P1 (No. 1) | Triclinic | — | — | — | 4.53 |
Uses
Applications
Where TeI is used.
Materials science researchChemical synthesis precursor
Reference
Frequently Asked Questions
Common questions about TeI, answered from cross-validated data.
What is TeI?
Tellurium monoiodide is a binary inorganic compound composed of tellurium and iodine. It is primarily studied in the context of fundamental solid-state chemistry and materials research regarding chalcogen halides.
More questions
What is TeI used for?
TeI is used in materials science research and chemical synthesis precursor.
What is the band gap of TeI?
TeI has a DFT-computed band gap of 0.79 eV across 100 reported structures.
Is TeI a metal, semiconductor, or insulator?
With a band gap up to 0.79 eV it is a semiconductor.
Is TeI thermodynamically stable?
Yes — TeI sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of TeI?
The lowest-energy reported polymorph of TeI is monoclinic symmetry, space group C2/m (No. 12).
What is the density of TeI?
The computed density of the ground-state structure of TeI is 5.12 g/cm³.
How many polymorphs of TeI are known?
100 structures of TeI are reported across 3 databases, spanning 15 distinct space groups.
What elements does TeI contain?
TeI contains I and Te (2 elements).
Where does the data for TeI come from?
TeI data is cross-referenced from materials_project, mpaloe, jarvis.
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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