Te3Y2

Te3Y2 is a thermodynamically stable semiconducting compound formed from yttrium and tellurium.

TeY
Crystal structure of Te3Y2 (orthorhombic, Fddd (No. 70))
Ground-state structure · Materials Project
Overview

About Te3Y2

Te3Y2 is a binary compound composed of tellurium and yttrium that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these elements that has been documented across multiple structural databases. Its stability makes it a compelling subject for researchers investigating the intersection of rare-earth chemistry and chalcogenide semiconductors. The material is characterized by a diverse structural landscape, with several distinct configurations identified in scientific literature. This structural variety suggests that Te3Y2 may possess tunable properties depending on its specific crystalline arrangement, offering potential utility in specialized electronic or optoelectronic applications where stable, semiconducting tellurides are required.

At a glance

Key Properties

Cross-validated computational properties for Te3Y2, aggregated across 3 databases.

Band Gap

0.36–0.56 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Te3Y2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fddd (No. 70)orthorhombic0.560.0000-6.1595.26
P4/mmm (No. 123)tetragonal0.362.8165-3.3420.28
5.13
5.13
P-3m1 (No. 164)
R-3m (No. 166)
Uses

Applications

Where Te3Y2 is used.

Semiconductor researchMaterials science developmentChalcogenide-based electronic components
Reference

Frequently Asked Questions

Common questions about Te3Y2, answered from cross-validated data.

What is Te3Y2?

Te3Y2 is a thermodynamically stable semiconducting compound formed from yttrium and tellurium.

More questions
What is Te3Y2 used for?
Te3Y2 is used in semiconductor research, materials science development, and chalcogenide-based electronic components.
What is the band gap of Te3Y2?
Te3Y2 has a DFT-computed band gap of 0.36–0.56 eV across 6 reported structures.
Is Te3Y2 a metal, semiconductor, or insulator?
With a band gap up to 0.56 eV it is a semiconductor.
Is Te3Y2 thermodynamically stable?
Yes — Te3Y2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Te3Y2?
The lowest-energy reported polymorph of Te3Y2 is orthorhombic symmetry, space group Fddd (No. 70).
What is the density of Te3Y2?
The computed density of the ground-state structure of Te3Y2 is 5.26 g/cm³.
How many polymorphs of Te3Y2 are known?
6 structures of Te3Y2 are reported across 3 databases, spanning 4 distinct space groups.
What elements does Te3Y2 contain?
Te3Y2 contains Te and Y (2 elements).
Where does the data for Te3Y2 come from?
Te3Y2 data is cross-referenced from materials_project, omat24, aflow.
Comparison

How It Compares

As a thermodynamically stable binary telluride, Te3Y2 serves as a foundational example of how yttrium and tellurium can form reliable, energy-efficient semiconducting phases within the broader landscape of chalcogenide materials.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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