Al1Cl2Te1
Al1Cl2Te1 is a thermodynamically stable semiconducting compound composed of aluminum, chlorine, and tellurium.
About Al1Cl2Te1
Al1Cl2Te1 is a distinct inorganic compound characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits notable thermodynamic stability, making it a compelling subject for structural analysis and materials design. Its composition of aluminum, chlorine, and tellurium offers a unique chemical landscape for exploring complex bonding environments.
Given its status as a well-documented phase with numerous reported structures, this compound serves as a valuable reference point for researchers investigating chalcogenide-halide systems. Its stability suggests potential utility in specialized electronic or optoelectronic applications where reliable structural integrity is required.
Key Properties
Cross-validated computational properties for Al1Cl2Te1, aggregated across 2 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 Al1Cl2Te1, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 1.33 | 0.0000 | -12.855 | 2.75 |
| C2/m (No. 12) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
Applications
Where Al1Cl2Te1 is used.
Frequently Asked Questions
Common questions about Al1Cl2Te1, answered from cross-validated data.
What is Al1Cl2Te1?
Al1Cl2Te1 is a thermodynamically stable semiconducting compound composed of aluminum, chlorine, and tellurium.
What is Al1Cl2Te1 used for?
What is the band gap of Al1Cl2Te1?
Is Al1Cl2Te1 a metal, semiconductor, or insulator?
Is Al1Cl2Te1 thermodynamically stable?
What is the crystal structure of Al1Cl2Te1?
What is the density of Al1Cl2Te1?
How many polymorphs of Al1Cl2Te1 are known?
What elements does Al1Cl2Te1 contain?
Where does the data for Al1Cl2Te1 come from?
How It Compares
As a unique entry in its chemical space, Al1Cl2Te1 serves as a foundational example of how aluminum-based halides can incorporate tellurium to achieve stable semiconducting behavior, providing a benchmark for future synthetic efforts in this material class.
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).
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