Al4I16Tl4
Al4I16Tl4 is a thermodynamically stable, insulating inorganic compound composed of aluminum, iodine, and thallium.
About Al4I16Tl4
Al4I16Tl4 is a complex inorganic compound characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement of aluminum, iodine, and thallium atoms.
This material is of interest for fundamental solid-state research due to its distinct chemical composition and stable configuration. Its electronic properties suggest potential utility in specialized optical or dielectric applications where insulating behavior is a primary requirement.
Key Properties
Cross-validated computational properties for Al4I16Tl4, 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 Al4I16Tl4, 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 | 3.50 | 0.0000 | -3.007 | 4.60 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 4.04 |
Applications
Where Al4I16Tl4 is used.
Frequently Asked Questions
Common questions about Al4I16Tl4, answered from cross-validated data.
What is Al4I16Tl4?
Al4I16Tl4 is a thermodynamically stable, insulating inorganic compound composed of aluminum, iodine, and thallium.
What is Al4I16Tl4 used for?
What is the band gap of Al4I16Tl4?
Is Al4I16Tl4 a metal, semiconductor, or insulator?
Is Al4I16Tl4 thermodynamically stable?
What is the crystal structure of Al4I16Tl4?
What is the density of Al4I16Tl4?
How many polymorphs of Al4I16Tl4 are known?
What elements does Al4I16Tl4 contain?
Where does the data for Al4I16Tl4 come from?
How It Compares
As a unique inorganic phase, Al4I16Tl4 occupies a distinct position in materials science, serving as a stable reference point for complex halide-based systems containing both main-group and heavy metal elements.
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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