TeWO6

TeWO6 is a metastable, semiconducting ternary oxide containing tellurium and tungsten.

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Crystal structure of TeWO6 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About TeWO6

TeWO6 is a complex ternary oxide composed of tellurium, tungsten, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating specialized oxide frameworks.

Because this compound is classified as metastable, its synthesis and structural integrity are highly sensitive to processing conditions. It is characterized by significant structural diversity, with multiple reported configurations across various databases, highlighting its complex coordination environment.

At a glance

Key Properties

Cross-validated computational properties for TeWO6, aggregated across 3 databases.

Band Gap

1.25–1.66 eV
Range across DFT structures

Energy Above Hull

0.031 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

13
3 databases, 6 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for TeWO6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic1.660.0314-7.4596.58
R-3 (No. 148)trigonal1.650.0480-7.4426.69
Fm-3m (No. 225)cubic1.250.0615-7.4286.01
Fm-3m (No. 225)Cubic6.01
Fm-3m (No. 225)Cubic6.81
Fm-3m (No. 225)Cubic6.27
P21/c (No. 14)Monoclinic6.58
Pmmm (No. 47)Orthorhombic10.60
P21/c (No. 14)Monoclinic6.86
R-3 (No. 148)
P21/c (No. 14)Monoclinic7.43
P2/m (No. 10)Monoclinic7.58
Reference

Frequently Asked Questions

Common questions about TeWO6, answered from cross-validated data.

What is TeWO6?

TeWO6 is a metastable, semiconducting ternary oxide containing tellurium and tungsten.

More questions
What is the band gap of TeWO6?
TeWO6 has a DFT-computed band gap of 1.25–1.66 eV across 13 reported structures.
Is TeWO6 a metal, semiconductor, or insulator?
With a band gap up to 1.66 eV it is a semiconductor.
Is TeWO6 thermodynamically stable?
TeWO6 has a lowest energy above hull of 0.031 eV/atom (metastable).
What is the crystal structure of TeWO6?
The lowest-energy reported polymorph of TeWO6 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of TeWO6?
The computed density of the ground-state structure of TeWO6 is 6.58 g/cm³.
How many polymorphs of TeWO6 are known?
13 structures of TeWO6 are reported across 3 databases, spanning 6 distinct space groups.
What elements does TeWO6 contain?
TeWO6 contains O, Te, and W (3 elements).
Where does the data for TeWO6 come from?
TeWO6 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a unique ternary oxide, TeWO6 occupies a specialized niche within the broader landscape of tellurium-based functional materials. Unlike more common binary oxides, its structural metastability suggests a high degree of sensitivity to synthesis pathways, positioning it as a material of interest for fundamental studies in phase stability and structural transformation.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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