As2Mg2Na2
As2Mg2Na2 is a stable, semiconducting ternary arsenide compound used in fundamental materials science research.
About As2Mg2Na2
As2Mg2Na2 is a complex ternary arsenide that exhibits semiconducting electronic behavior. Its position on the convex hull confirms that it is a thermodynamically stable phase, making it a significant subject for structural analysis and materials characterization.
With multiple reported structures across various databases, this compound serves as a valuable case study for understanding the interplay between alkali metals, alkaline earth metals, and pnictogens. Its stability suggests potential for integration into specialized electronic or optoelectronic device architectures.
Key Properties
Cross-validated computational properties for As2Mg2Na2, aggregated across 4 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 As2Mg2Na2, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 0.95 | 0.0000 | -8.267 | 2.97 |
| No. 0 | unknown | — | — | — | 1.45 |
| P4/nmm (No. 129) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| — | — | — | — | — | 2.83 |
| P4/nmm (No. 129) | — | — | — | — | — |
| — | — | — | — | — | 2.83 |
| — | — | — | — | — | 2.83 |
Applications
Where As2Mg2Na2 is used.
Frequently Asked Questions
Common questions about As2Mg2Na2, answered from cross-validated data.
What is As2Mg2Na2?
As2Mg2Na2 is a stable, semiconducting ternary arsenide compound used in fundamental materials science research.
What is As2Mg2Na2 used for?
What is the band gap of As2Mg2Na2?
Is As2Mg2Na2 a metal, semiconductor, or insulator?
Is As2Mg2Na2 thermodynamically stable?
What is the crystal structure of As2Mg2Na2?
What is the density of As2Mg2Na2?
How many polymorphs of As2Mg2Na2 are known?
What elements does As2Mg2Na2 contain?
Where does the data for As2Mg2Na2 come from?
How It Compares
As a ternary arsenide, As2Mg2Na2 occupies a unique niche in solid-state chemistry. While it does not have direct structural siblings in this context, it represents a critical data point for exploring the chemical space of complex pnictide semiconductors where stability is governed by the specific stoichiometry of sodium, magnesium, and arsenic.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- 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).
Analyze As2Mg2Na2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →