As2Be2Na2
As2Be2Na2 is a thermodynamically stable semiconducting material composed of arsenic, beryllium, and sodium.
About As2Be2Na2
As2Be2Na2 is a distinct ternary compound composed of arsenic, beryllium, and sodium. It is recognized as a thermodynamically stable phase, sitting directly on the convex hull, which indicates a robust energetic state under standard conditions. The material exhibits semiconducting electronic character, positioning it as an interesting candidate for research into specialized electronic components. Its existence across multiple databases underscores its significance as a reproducible and well-defined inorganic structure.
Key Properties
Cross-validated computational properties for As2Be2Na2, 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 As2Be2Na2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 1.29 | 0.0000 | -3.630 | 3.18 |
| P63/mmc (No. 194) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
Applications
Where As2Be2Na2 is used.
Frequently Asked Questions
Common questions about As2Be2Na2, answered from cross-validated data.
What is As2Be2Na2?
As2Be2Na2 is a thermodynamically stable semiconducting material composed of arsenic, beryllium, and sodium.
What is As2Be2Na2 used for?
What is the band gap of As2Be2Na2?
Is As2Be2Na2 a metal, semiconductor, or insulator?
Is As2Be2Na2 thermodynamically stable?
What is the crystal structure of As2Be2Na2?
What is the density of As2Be2Na2?
How many polymorphs of As2Be2Na2 are known?
What elements does As2Be2Na2 contain?
Where does the data for As2Be2Na2 come from?
How It Compares
As a unique ternary phase, As2Be2Na2 represents a specialized structural arrangement within its chemical system. Without direct structural siblings in this specific class, it serves as a foundational reference point for understanding how alkali metals and pnictogens interact with beryllium to form stable, semiconducting frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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