As2Mg1Si1
As2Mg1Si1 is a stable, semiconducting ternary compound composed of arsenic, magnesium, and silicon.
About As2Mg1Si1
As2Mg1Si1 is a semiconducting material characterized by its thermodynamic stability on the convex hull. Its existence as a stable phase suggests robust structural integrity, making it an interesting candidate for materials science investigations into ternary arsenide systems.
With numerous reported structural variations, this compound offers a rich landscape for exploring how atomic arrangements influence electronic behavior. Its semiconducting nature positions it as a subject of interest for researchers looking to expand the library of functional inorganic semiconductors.
Key Properties
Cross-validated computational properties for As2Mg1Si1, 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 As2Mg1Si1, 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. |
|---|---|---|---|---|---|
| I-42d (No. 122) | tetragonal | 1.30 | 0.0000 | -4.396 | 3.59 |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where As2Mg1Si1 is used.
Frequently Asked Questions
Common questions about As2Mg1Si1, answered from cross-validated data.
What is As2Mg1Si1?
As2Mg1Si1 is a stable, semiconducting ternary compound composed of arsenic, magnesium, and silicon.
What is As2Mg1Si1 used for?
What is the band gap of As2Mg1Si1?
Is As2Mg1Si1 a metal, semiconductor, or insulator?
Is As2Mg1Si1 thermodynamically stable?
What is the crystal structure of As2Mg1Si1?
What is the density of As2Mg1Si1?
How many polymorphs of As2Mg1Si1 are known?
What elements does As2Mg1Si1 contain?
Where does the data for As2Mg1Si1 come from?
How It Compares
As a unique ternary compound, As2Mg1Si1 occupies a distinct position in the landscape of magnesium-based arsenides and silicides. Unlike more common binary semiconductors, its complex stoichiometry allows for a specialized electronic profile that differentiates it from simpler, widely-studied materials in the broader semiconductor 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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