Ba2O18Te2W4

Ba2O18Te2W4 is a complex, wide-gap insulating oxide that is considered thermodynamically stable enough to be a target for laboratory synthesis.

BaOTeW
Crystal structure of Ba2O18Te2W4 (monoclinic, P21 (No. 4))
Ground-state structure · Materials Project
Overview

About Ba2O18Te2W4

Ba2O18Te2W4 is a complex inorganic oxide featuring barium, tellurium, and tungsten. As a wide-gap insulator, it exhibits electronic properties characteristic of highly stable dielectric materials, making it a focus for fundamental structural studies.

Its thermodynamic profile places it near the convex hull, suggesting it is a viable candidate for experimental synthesis. The existence of multiple structural variations across databases underscores its significance as a complex system in modern materials science.

At a glance

Key Properties

Cross-validated computational properties for Ba2O18Te2W4, aggregated across 4 databases.

Band Gap

3.42 eV
Range across DFT structures

Energy Above Hull

0.011 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

4
4 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Ba2O18Te2W4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21 (No. 4)monoclinic3.420.0114-8.0766.66
P21 (No. 4)
5.97
P21 (No. 4)monoclinic3.55
Uses

Applications

Where Ba2O18Te2W4 is used.

Solid-state researchDielectric materials developmentFundamental structural chemistry
Reference

Frequently Asked Questions

Common questions about Ba2O18Te2W4, answered from cross-validated data.

What is Ba2O18Te2W4?

Ba2O18Te2W4 is a complex, wide-gap insulating oxide that is considered thermodynamically stable enough to be a target for laboratory synthesis.

More questions
What is Ba2O18Te2W4 used for?
Ba2O18Te2W4 is used in solid-state research, dielectric materials development, and fundamental structural chemistry.
What is the band gap of Ba2O18Te2W4?
Ba2O18Te2W4 has a DFT-computed band gap of 3.42 eV across 4 reported structures.
Is Ba2O18Te2W4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.42 eV it is an insulator / wide-band-gap material.
Is Ba2O18Te2W4 thermodynamically stable?
Ba2O18Te2W4 has a lowest energy above hull of 0.011 eV/atom (near hull (likely stable)).
What is the crystal structure of Ba2O18Te2W4?
The lowest-energy reported polymorph of Ba2O18Te2W4 is monoclinic symmetry, space group P21 (No. 4).
What is the density of Ba2O18Te2W4?
The computed density of the ground-state structure of Ba2O18Te2W4 is 6.66 g/cm³.
How many polymorphs of Ba2O18Te2W4 are known?
4 structures of Ba2O18Te2W4 are reported across 4 databases, spanning 1 distinct space group.
What elements does Ba2O18Te2W4 contain?
Ba2O18Te2W4 contains Ba, O, Te, and W (4 elements).
Where does the data for Ba2O18Te2W4 come from?
Ba2O18Te2W4 data is cross-referenced from materials_project, aflow, omat24, cod.
Comparison

How It Compares

As a unique complex oxide, this compound serves as a distinct representative of its chemical family. While it currently stands as a singular entry in this context, its structural complexity and insulating nature distinguish it from simpler binary or ternary oxides within the broader landscape of barium-based ceramics.

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).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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