Te10Zr2
Te10Zr2 is a thermodynamically stable, semimetallic zirconium telluride compound known for its structural diversity.
About Te10Zr2
Te10Zr2 is a distinct zirconium telluride characterized by its semimetallic electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within the telluride family, offering a reliable platform for investigating charge transport phenomena.
Its structural complexity is highlighted by a significant number of reported configurations across various databases. This diversity in structural data makes it a compelling subject for researchers focused on the fundamental physics of metal-chalcogenide systems and their potential for specialized electronic applications.
Key Properties
Cross-validated computational properties for Te10Zr2, 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.
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 Te10Zr2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.02 | 0.0000 | -25.556 | 5.65 |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| — | — | — | — | — | 5.67 |
Applications
Where Te10Zr2 is used.
Frequently Asked Questions
Common questions about Te10Zr2, answered from cross-validated data.
What is Te10Zr2?
Te10Zr2 is a thermodynamically stable, semimetallic zirconium telluride compound known for its structural diversity.
What is Te10Zr2 used for?
What is the band gap of Te10Zr2?
Is Te10Zr2 a metal, semiconductor, or insulator?
Is Te10Zr2 thermodynamically stable?
What is the crystal structure of Te10Zr2?
What is the density of Te10Zr2?
How many polymorphs of Te10Zr2 are known?
What elements does Te10Zr2 contain?
Where does the data for Te10Zr2 come from?
How It Compares
As a unique binary telluride, Te10Zr2 occupies a specialized niche in materials science. Unlike simpler stoichiometric compounds, its complex composition allows for intricate electronic behavior, positioning it as a foundational reference point for future studies into the stability and electronic properties of zirconium-rich telluride phases.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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