Au4I4Te4

Au4I4Te4 is a thermodynamically stable semiconducting material composed of gold, iodine, and tellurium.

AuITe
Crystal structure of Au4I4Te4 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About Au4I4Te4

Au4I4Te4 is a complex inorganic compound composed of gold, iodine, and tellurium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its chemical system.

This material exhibits semiconducting electronic characteristics, making it an intriguing subject for research into specialized electronic and optoelectronic applications. Its existence across multiple reported structures highlights its significance in fundamental materials science.

At a glance

Key Properties

Cross-validated computational properties for Au4I4Te4, aggregated across 4 databases.

Band Gap

1.12 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Au4I4Te4, 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)monoclinic1.120.0000-3.0537.13
P21/c (No. 14)
No. 0unknown3.10
7.46
Uses

Applications

Where Au4I4Te4 is used.

Semiconductor researchSolid-state electronic materials development
Reference

Frequently Asked Questions

Common questions about Au4I4Te4, answered from cross-validated data.

What is Au4I4Te4?

Au4I4Te4 is a thermodynamically stable semiconducting material composed of gold, iodine, and tellurium.

More questions
What is Au4I4Te4 used for?
Au4I4Te4 is used in semiconductor research and solid-state electronic materials development.
What is the band gap of Au4I4Te4?
Au4I4Te4 has a DFT-computed band gap of 1.12 eV across 4 reported structures.
Is Au4I4Te4 a metal, semiconductor, or insulator?
With a band gap up to 1.12 eV it is a semiconductor.
Is Au4I4Te4 thermodynamically stable?
Yes — Au4I4Te4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Au4I4Te4?
The lowest-energy reported polymorph of Au4I4Te4 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Au4I4Te4?
The computed density of the ground-state structure of Au4I4Te4 is 7.13 g/cm³.
How many polymorphs of Au4I4Te4 are known?
4 structures of Au4I4Te4 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Au4I4Te4 contain?
Au4I4Te4 contains Au, I, and Te (3 elements).
Where does the data for Au4I4Te4 come from?
Au4I4Te4 data is cross-referenced from materials_project, aflow, cod, omat24.
Comparison

How It Compares

As a unique compound within its specific chemical system, Au4I4Te4 serves as a benchmark for stability and electronic behavior, providing a foundation for understanding how noble metals integrate with chalcogens and halides to form stable, semiconducting architectures.

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).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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