Te3Zn3
This compound is a binary semiconductor material composed of zinc and tellurium. It is primarily studied for its potential utility in optoelectronic devices and specialized sensing technologies.
Overview
Key Properties
Cross-validated computational properties for Te3Zn3, aggregated across 5 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.
0.29–1.10 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
38
5 databases, 14 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Te3Zn3, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 1.07 | 0.0000 | -2.886 | 5.62 |
| P31 (No. 144) | trigonal | 1.07 | 0.0037 | -2.882 | 5.42 |
| P63mc (No. 186) | hexagonal | 1.10 | 0.0053 | -2.880 | 5.61 |
| P6422 (No. 181) | hexagonal | 0.32 | 0.1501 | -2.736 | 6.00 |
| P3121 (No. 152) | trigonal | 0.29 | 0.1516 | -2.734 | 5.99 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.2656 | -2.620 | 6.34 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.2886 | -2.597 | 6.67 |
| P-62m (No. 189) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.42 |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P-62m (No. 189) | — | — | — | — | — |
Uses
Applications
Where Te3Zn3 is used.
OptoelectronicsSemiconductor researchPhotodetectors
Reference
Frequently Asked Questions
Common questions about Te3Zn3, answered from cross-validated data.
What is Te3Zn3?
This compound is a binary semiconductor material composed of zinc and tellurium. It is primarily studied for its potential utility in optoelectronic devices and specialized sensing technologies.
More questions
What is Te3Zn3 used for?
Te3Zn3 is used in optoelectronics, semiconductor research, and photodetectors.
What is the band gap of Te3Zn3?
Te3Zn3 has a DFT-computed band gap of 0.29–1.10 eV across 38 reported structures.
Is Te3Zn3 a metal, semiconductor, or insulator?
With a band gap up to 1.10 eV it is a semiconductor.
Is Te3Zn3 thermodynamically stable?
Yes — Te3Zn3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Te3Zn3?
The lowest-energy reported polymorph of Te3Zn3 is cubic symmetry, space group F-43m (No. 216).
What is the density of Te3Zn3?
The computed density of the ground-state structure of Te3Zn3 is 5.62 g/cm³.
How many polymorphs of Te3Zn3 are known?
38 structures of Te3Zn3 are reported across 5 databases, spanning 14 distinct space groups.
What elements does Te3Zn3 contain?
Te3Zn3 contains Te and Zn (2 elements).
Where does the data for Te3Zn3 come from?
Te3Zn3 data is cross-referenced from materials_project, aflow, cod, nomad, omat24.
Explore
Related Compounds
Other II-VI Semiconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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