Al2Te3
Al2Te3 is a thermodynamically stable semiconducting compound formed from aluminum and tellurium.
About Al2Te3
Al2Te3 is a binary inorganic compound composed of aluminum and tellurium. As a thermodynamically stable material that resides on the convex hull, it represents a robust phase within its chemical system, supported by extensive structural data across multiple databases. Its electronic character as a semiconductor makes it an intriguing candidate for specialized solid-state research. The material is primarily utilized in experimental studies focused on chalcogenide semiconductors, where its stability and electronic properties are evaluated for potential integration into functional devices. Its well-defined structural profile across numerous reported configurations underscores its significance in materials science investigations.
Key Properties
Cross-validated computational properties for Al2Te3, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Al2Te3. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Al2Te3, 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 | 2.24 | 0.0000 | -18.502 | 4.16 |
| — | — | 1.94 | 0.0000 | -0.451 | — |
| P21/c (No. 14) | monoclinic | 1.78 | 0.0000 | -0.487 | — |
| Cc (No. 9) | monoclinic | 1.46 | 0.0012 | -0.486 | — |
| Cc (No. 9) | monoclinic | 1.34 | 0.0149 | -18.487 | 4.43 |
| — | — | 1.44 | 0.0255 | -0.425 | — |
| — | — | 1.24 | 0.0449 | -0.406 | — |
| R3 (No. 146) | trigonal | 0.68 | 0.0797 | -18.423 | 4.34 |
| — | — | 0.00 | 0.1085 | -0.342 | — |
| — | — | 0.00 | 0.4318 | -0.019 | — |
| R-3m (No. 166) | trigonal | — | — | -3.728 | 5.15 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 4.22 |
Applications
Where Al2Te3 is used.
Frequently Asked Questions
Common questions about Al2Te3, answered from cross-validated data.
What is Al2Te3?
Al2Te3 is a thermodynamically stable semiconducting compound formed from aluminum and tellurium.
What is Al2Te3 used for?
What is the band gap of Al2Te3?
Is Al2Te3 a metal, semiconductor, or insulator?
Is Al2Te3 thermodynamically stable?
What is the crystal structure of Al2Te3?
What is the density of Al2Te3?
How many polymorphs of Al2Te3 are known?
What elements does Al2Te3 contain?
Where does the data for Al2Te3 come from?
How It Compares
As a distinct binary phase, Al2Te3 serves as a foundational example of aluminum-based chalcogenide chemistry. Within the broader context of similar semiconducting compounds, it is notable for its thermodynamic stability, which provides a reliable baseline for researchers exploring the electronic behavior of aluminum-telluride systems.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- aflow — Data from AFLOW (aflow.org). Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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