As16Mg4
As16Mg4 is a thermodynamically stable semiconducting compound composed of magnesium and arsenic.
About As16Mg4
As16Mg4 is a distinct magnesium arsenide compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within the magnesium-arsenic chemical space.
This material is of significant interest for researchers investigating specialized semiconductor architectures. Its stability suggests potential for integration into complex electronic systems where reliable, well-defined material phases are required for consistent performance.
Key Properties
Cross-validated computational properties for As16Mg4, aggregated across 3 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 As16Mg4, 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. |
|---|---|---|---|---|---|
| P41212 (No. 92) | tetragonal | 0.81 | 0.0000 | -12.905 | 4.58 |
| P41212 (No. 92) | — | — | — | — | — |
| I-43m (No. 217) | — | — | — | — | — |
| P41212 (No. 92) | — | — | — | — | — |
| — | — | — | — | — | 4.46 |
Applications
Where As16Mg4 is used.
Frequently Asked Questions
Common questions about As16Mg4, answered from cross-validated data.
What is As16Mg4?
As16Mg4 is a thermodynamically stable semiconducting compound composed of magnesium and arsenic.
What is As16Mg4 used for?
What is the band gap of As16Mg4?
Is As16Mg4 a metal, semiconductor, or insulator?
Is As16Mg4 thermodynamically stable?
What is the crystal structure of As16Mg4?
What is the density of As16Mg4?
How many polymorphs of As16Mg4 are known?
What elements does As16Mg4 contain?
Where does the data for As16Mg4 come from?
How It Compares
As16Mg4 occupies a unique position as a stable, semiconducting binary phase. Within the broader context of magnesium-arsenic compounds, it serves as a primary example of how specific stoichiometry can yield stable, electronically active materials that are distinct from more common or simpler arsenide phases.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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