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

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.
Key Properties
Cross-validated computational properties for Au4I4Te4, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Au4I4Te4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.12 | 0.0000 | -3.053 | 7.13 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 3.10 |
| — | — | — | — | — | 7.46 |
Applications
Where Au4I4Te4 is used.
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.
What is Au4I4Te4 used for?
What is the band gap of Au4I4Te4?
Is Au4I4Te4 a metal, semiconductor, or insulator?
Is Au4I4Te4 thermodynamically stable?
What is the crystal structure of Au4I4Te4?
What is the density of Au4I4Te4?
How many polymorphs of Au4I4Te4 are known?
What elements does Au4I4Te4 contain?
Where does the data for Au4I4Te4 come from?
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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