As56Na24
As56Na24 is a thermodynamically stable semiconducting compound composed of arsenic and sodium.
About As56Na24
As56Na24 is a distinct sodium arsenide compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of arsenic and sodium atoms.
This material is of significant interest for researchers investigating binary pnictides. Its stability and semiconducting behavior make it a compelling candidate for fundamental studies into the electronic properties of alkali metal-arsenic systems.
Key Properties
Cross-validated computational properties for As56Na24, 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 As56Na24, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 1.53 | 0.0000 | -11.722 | 3.60 |
| No. 0 | unknown | — | — | — | 0.90 |
| — | — | — | — | — | 3.43 |
Applications
Where As56Na24 is used.
Frequently Asked Questions
Common questions about As56Na24, answered from cross-validated data.
What is As56Na24?
As56Na24 is a thermodynamically stable semiconducting compound composed of arsenic and sodium.
What is As56Na24 used for?
What is the band gap of As56Na24?
Is As56Na24 a metal, semiconductor, or insulator?
Is As56Na24 thermodynamically stable?
What is the crystal structure of As56Na24?
What is the density of As56Na24?
How many polymorphs of As56Na24 are known?
What elements does As56Na24 contain?
Where does the data for As56Na24 come from?
How It Compares
As a unique binary compound within the sodium-arsenic system, As56Na24 serves as a key reference point for understanding the structural diversity of pnictide-based materials. It occupies a stable position in the chemical landscape, providing insights into the bonding and electronic trends that define this class of semiconductors.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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