Te2Cl
Ditellurium monochloride is a binary inorganic compound composed of tellurium and chlorine. It is primarily studied in the context of solid-state chemistry and materials research as a subhalide of tellurium.
ClTe
Overview
Key Properties
Cross-validated computational properties for Te2Cl, 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.
0.71 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.
0.016 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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
67
2 databases, 18 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Te2Cl, 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 | 0.71 | 0.0163 | -19.257 | 4.89 |
| Cc (No. 9) | Monoclinic | — | — | — | 5.35 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.27 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.05 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.65 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.08 |
| Pmn21 (No. 31) | Orthorhombic | — | — | — | 6.99 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.56 |
| Pnnm (No. 58) | Orthorhombic | — | — | — | 4.87 |
| P1 (No. 1) | Triclinic | — | — | — | 5.23 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.72 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.01 |
Uses
Applications
Where Te2Cl is used.
Materials science researchChemical synthesis precursor
Reference
Frequently Asked Questions
Common questions about Te2Cl, answered from cross-validated data.
What is Te2Cl?
Ditellurium monochloride is a binary inorganic compound composed of tellurium and chlorine. It is primarily studied in the context of solid-state chemistry and materials research as a subhalide of tellurium.
More questions
What is Te2Cl used for?
Te2Cl is used in materials science research and chemical synthesis precursor.
What is the band gap of Te2Cl?
Te2Cl has a DFT-computed band gap of 0.71 eV across 67 reported structures.
Is Te2Cl a metal, semiconductor, or insulator?
With a band gap up to 0.71 eV it is a semiconductor.
Is Te2Cl thermodynamically stable?
Te2Cl has a lowest energy above hull of 0.016 eV/atom (near hull (likely stable)).
What is the crystal structure of Te2Cl?
The lowest-energy reported polymorph of Te2Cl is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Te2Cl?
The computed density of the ground-state structure of Te2Cl is 4.89 g/cm³.
How many polymorphs of Te2Cl are known?
67 structures of Te2Cl are reported across 2 databases, spanning 18 distinct space groups.
What elements does Te2Cl contain?
Te2Cl contains Cl and Te (2 elements).
Where does the data for Te2Cl come from?
Te2Cl 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.
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