Au2Cl8Tl2
Au2Cl8Tl2 is a thermodynamically stable, semiconducting inorganic compound composed of gold, chlorine, and thallium.
About Au2Cl8Tl2
Au2Cl8Tl2 is a distinct inorganic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of gold, chlorine, and thallium atoms that maintains structural integrity under standard conditions. The material is recognized for its structural diversity, supported by multiple reported entries across major crystallographic databases. Its unique composition makes it a subject of interest for researchers investigating complex halide-based systems and their potential for specialized electronic applications.
Key Properties
Cross-validated computational properties for Au2Cl8Tl2, aggregated across 3 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 Au2Cl8Tl2, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 1.76 | 0.0000 | -3.169 | 5.25 |
| — | — | — | — | — | 4.77 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where Au2Cl8Tl2 is used.
Frequently Asked Questions
Common questions about Au2Cl8Tl2, answered from cross-validated data.
What is Au2Cl8Tl2?
Au2Cl8Tl2 is a thermodynamically stable, semiconducting inorganic compound composed of gold, chlorine, and thallium.
What is Au2Cl8Tl2 used for?
What is the band gap of Au2Cl8Tl2?
Is Au2Cl8Tl2 a metal, semiconductor, or insulator?
Is Au2Cl8Tl2 thermodynamically stable?
What is the crystal structure of Au2Cl8Tl2?
What is the density of Au2Cl8Tl2?
How many polymorphs of Au2Cl8Tl2 are known?
What elements does Au2Cl8Tl2 contain?
Where does the data for Au2Cl8Tl2 come from?
How It Compares
As a unique inorganic system, Au2Cl8Tl2 occupies a specialized niche in materials research. Without direct siblings in this specific class, it serves as a foundational reference point for understanding the interplay between heavy metal cations and halide coordination in stable, semiconducting architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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