Mg2Se1Te1
Mg2Se1Te1 is a metastable semiconducting ternary compound consisting of magnesium, selenium, and tellurium.
About Mg2Se1Te1
Mg2Se1Te1 is a complex ternary compound composed of magnesium, selenium, and tellurium. As a metastable material, it represents a unique intersection of chalcogenide chemistry, offering intriguing potential for specialized electronic applications where specific semiconducting behaviors are required.
The compound is characterized by its semiconducting nature, which makes it a subject of interest for researchers exploring tunable electronic properties in mixed-anion systems. Its structural diversity, reflected in numerous reported configurations, highlights its role as a versatile candidate for fundamental studies in solid-state physics.
Key Properties
Cross-validated computational properties for Mg2Se1Te1, 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 Mg2Se1Te1, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 1.76 | 0.0273 | -3.721 | 3.45 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where Mg2Se1Te1 is used.
Frequently Asked Questions
Common questions about Mg2Se1Te1, answered from cross-validated data.
What is Mg2Se1Te1?
Mg2Se1Te1 is a metastable semiconducting ternary compound consisting of magnesium, selenium, and tellurium.
What is Mg2Se1Te1 used for?
What is the band gap of Mg2Se1Te1?
Is Mg2Se1Te1 a metal, semiconductor, or insulator?
Is Mg2Se1Te1 thermodynamically stable?
What is the crystal structure of Mg2Se1Te1?
What is the density of Mg2Se1Te1?
How many polymorphs of Mg2Se1Te1 are known?
What elements does Mg2Se1Te1 contain?
Where does the data for Mg2Se1Te1 come from?
How It Compares
As a ternary magnesium chalcogenide, Mg2Se1Te1 occupies a niche position within the broader landscape of semiconducting materials. Unlike more common binary counterparts, this compound leverages the interplay between selenium and tellurium to potentially modify carrier transport and optical responses, serving as a distinct example of how anion substitution can influence the stability and electronic landscape of magnesium-based semiconductors.
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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