Cs4O6Te2

Cs4O6Te2 is a thermodynamically stable, insulating ternary compound containing cesium, oxygen, and tellurium.

CsOTe
Crystal structure of Cs4O6Te2 (trigonal, P321 (No. 150))
Ground-state structure · Materials Project
Overview

About Cs4O6Te2

Cs4O6Te2 is a complex inorganic compound composed of cesium, oxygen, and tellurium. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement within its chemical system.

This material exhibits insulating electronic characteristics, defined by a wide band gap. Its unique composition makes it a subject of interest for researchers investigating the interplay between alkali metals, chalcogens, and oxygen in solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for Cs4O6Te2, aggregated across 3 databases.

Band Gap

3.54 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Cs4O6Te2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P321 (No. 150)trigonal3.540.0000-5.1284.59
P321 (No. 150)
4.38
Reference

Frequently Asked Questions

Common questions about Cs4O6Te2, answered from cross-validated data.

What is Cs4O6Te2?

Cs4O6Te2 is a thermodynamically stable, insulating ternary compound containing cesium, oxygen, and tellurium.

More questions
What is the band gap of Cs4O6Te2?
Cs4O6Te2 has a DFT-computed band gap of 3.54 eV across 3 reported structures.
Is Cs4O6Te2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.54 eV it is an insulator / wide-band-gap material.
Is Cs4O6Te2 thermodynamically stable?
Yes — Cs4O6Te2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cs4O6Te2?
The lowest-energy reported polymorph of Cs4O6Te2 is trigonal symmetry, space group P321 (No. 150).
What is the density of Cs4O6Te2?
The computed density of the ground-state structure of Cs4O6Te2 is 4.59 g/cm³.
How many polymorphs of Cs4O6Te2 are known?
3 structures of Cs4O6Te2 are reported across 3 databases, spanning 1 distinct space group.
What elements does Cs4O6Te2 contain?
Cs4O6Te2 contains Cs, O, and Te (3 elements).
Where does the data for Cs4O6Te2 come from?
Cs4O6Te2 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a distinct member of the cesium-oxygen-tellurium system, Cs4O6Te2 occupies a unique structural niche. Unlike more common binary oxides or simple tellurides, this compound integrates multiple anionic species into a stable lattice, serving as a reference point for understanding complex ternary phase formation in this chemical family.

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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