Te3Zn3
Te3Zn3 is a thermodynamically stable II-VI semiconductor that serves as a complex structural variant within the zinc-telluride material class.
About Te3Zn3
Te3Zn3 is a semiconducting compound belonging to the II-VI class of materials. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within the zinc-telluride system. Its electronic properties make it a subject of interest for researchers investigating fundamental semiconductor physics and optoelectronic potential. The compound is characterized by a significant degree of structural diversity, with numerous reported configurations across major materials databases. This data richness underscores its importance in understanding the phase space of binary chalcogenides and their potential for specialized electronic applications. Its stability suggests a reliable building block for advanced materials design.
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.
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 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 |
| P6422 (No. 181) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.42 |
| P6422 (No. 181) | — | — | — | — | — |
| P3121 (No. 152) | — | — | — | — | — |
| Pm-3m (No. 221) | — | — | — | — | — |
Applications
Where Te3Zn3 is used.
Frequently Asked Questions
Common questions about Te3Zn3, answered from cross-validated data.
What is Te3Zn3?
Te3Zn3 is a thermodynamically stable II-VI semiconductor that serves as a complex structural variant within the zinc-telluride material class.
What is Te3Zn3 used for?
What is the band gap of Te3Zn3?
Is Te3Zn3 a metal, semiconductor, or insulator?
Is Te3Zn3 thermodynamically stable?
What is the crystal structure of Te3Zn3?
What is the density of Te3Zn3?
How many polymorphs of Te3Zn3 are known?
What elements does Te3Zn3 contain?
Where does the data for Te3Zn3 come from?
How It Compares
Within the ii-vi semiconductors class.
Within the broad family of II-VI semiconductors, Te3Zn3 occupies a distinct position compared to more common binary compounds like ZnS or CdTe. While materials such as CdS and CdSe are widely utilized in thin-film photovoltaics and light-emitting diodes, Te3Zn3 represents a more complex stoichiometric arrangement. Unlike the simpler binary structures found in CdSe2 or Cd2Te2, this compound highlights the intricate bonding possibilities inherent in zinc-telluride systems, offering a unique structural profile that differentiates it from the standard zinc-blende or wurtzite phases typical of its siblings.
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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