Te3Cl2
Tellurium dichloride is a binary inorganic compound composed of tellurium and chlorine. It is primarily utilized as a specialized reagent in synthetic chemistry and materials science research.
ClTe
Overview
Key Properties
Cross-validated computational properties for Te3Cl2, 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.
1.36 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.
17
3 databases, 8 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Te3Cl2, 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/c (No. 14) | monoclinic | 1.36 | 0.0000 | -18.044 | 4.61 |
| Pm (No. 6) | Monoclinic | — | — | — | 7.14 |
| P1 (No. 1) | Triclinic | — | — | — | 4.21 |
| P1 (No. 1) | Triclinic | — | — | — | 4.03 |
| P1 (No. 1) | Triclinic | — | — | — | 3.23 |
| P1 (No. 1) | Triclinic | — | — | — | 6.32 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.18 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.23 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.48 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.15 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.97 |
| P21/c (No. 14) | — | — | — | — | — |
Uses
Applications
Where Te3Cl2 is used.
Synthetic chemistryMaterials science research
Reference
Frequently Asked Questions
Common questions about Te3Cl2, answered from cross-validated data.
What is Te3Cl2?
Tellurium dichloride is a binary inorganic compound composed of tellurium and chlorine. It is primarily utilized as a specialized reagent in synthetic chemistry and materials science research.
More questions
What is Te3Cl2 used for?
Te3Cl2 is used in synthetic chemistry and materials science research.
What is the band gap of Te3Cl2?
Te3Cl2 has a DFT-computed band gap of 1.36 eV across 17 reported structures.
Is Te3Cl2 a metal, semiconductor, or insulator?
With a band gap up to 1.36 eV it is a semiconductor.
Is Te3Cl2 thermodynamically stable?
Yes — Te3Cl2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Te3Cl2?
The lowest-energy reported polymorph of Te3Cl2 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Te3Cl2?
The computed density of the ground-state structure of Te3Cl2 is 4.61 g/cm³.
How many polymorphs of Te3Cl2 are known?
17 structures of Te3Cl2 are reported across 3 databases, spanning 8 distinct space groups.
What elements does Te3Cl2 contain?
Te3Cl2 contains Cl and Te (2 elements).
Where does the data for Te3Cl2 come from?
Te3Cl2 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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