Al1Mg1Se2
Al1Mg1Se2 is a semiconducting ternary selenide compound that is considered a strong candidate for laboratory synthesis.
About Al1Mg1Se2
Al1Mg1Se2 is a ternary compound composed of aluminum, magnesium, and selenium. As a semiconducting material, it possesses electronic properties that are of significant interest for potential applications in optoelectronics and solid-state device development.
This material is classified as near-hull, indicating that it is thermodynamically stable enough to be considered a viable target for experimental synthesis. Its structural versatility is highlighted by the numerous reported configurations, suggesting a complex landscape for its atomic arrangement.
Key Properties
Cross-validated computational properties for Al1Mg1Se2, 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 Al1Mg1Se2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.05 | 0.0176 | -4.522 | 3.33 |
| Pmmm (No. 47) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Al1Mg1Se2 is used.
Frequently Asked Questions
Common questions about Al1Mg1Se2, answered from cross-validated data.
What is Al1Mg1Se2?
Al1Mg1Se2 is a semiconducting ternary selenide compound that is considered a strong candidate for laboratory synthesis.
What is Al1Mg1Se2 used for?
What is the band gap of Al1Mg1Se2?
Is Al1Mg1Se2 a metal, semiconductor, or insulator?
Is Al1Mg1Se2 thermodynamically stable?
What is the crystal structure of Al1Mg1Se2?
What is the density of Al1Mg1Se2?
How many polymorphs of Al1Mg1Se2 are known?
What elements does Al1Mg1Se2 contain?
Where does the data for Al1Mg1Se2 come from?
How It Compares
As a ternary selenide, Al1Mg1Se2 represents a distinct structural class of materials where the interplay between group 13 and group 2 elements dictates its semiconducting nature. It serves as a foundational example of how magnesium and aluminum can be integrated into a chalcogenide framework to tune electronic behavior.
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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