As1Na1Zn1
As1Na1Zn1 is a stable, semiconducting ternary compound consisting of arsenic, sodium, and zinc.
About As1Na1Zn1
As1Na1Zn1 is a distinct ternary compound composed of arsenic, sodium, and zinc. It is recognized for its semiconducting electronic character, making it a subject of interest for fundamental studies in solid-state physics and materials design.
As a thermodynamically stable phase located on the convex hull, this material exhibits robust structural integrity. Its existence across multiple reported configurations highlights its versatility and potential for further investigation in specialized electronic applications.
Key Properties
Cross-validated computational properties for As1Na1Zn1, 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 As1Na1Zn1, 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 | 0.36 | 0.0000 | -2.839 | 4.49 |
| F-43m (No. 216) | cubic | 0.00 | 0.1356 | -2.703 | 4.23 |
| Fmm2 (No. 42) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4mm (No. 107) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P3m1 (No. 156) | — | — | — | — | — |
Frequently Asked Questions
Common questions about As1Na1Zn1, answered from cross-validated data.
What is As1Na1Zn1?
As1Na1Zn1 is a stable, semiconducting ternary compound consisting of arsenic, sodium, and zinc.
What is the band gap of As1Na1Zn1?
Is As1Na1Zn1 a metal, semiconductor, or insulator?
Is As1Na1Zn1 thermodynamically stable?
What is the crystal structure of As1Na1Zn1?
What is the density of As1Na1Zn1?
How many polymorphs of As1Na1Zn1 are known?
What elements does As1Na1Zn1 contain?
Where does the data for As1Na1Zn1 come from?
How It Compares
As a unique ternary compound, As1Na1Zn1 serves as a foundational example of how alkali metals, transition metals, and pnictogens can integrate into stable crystalline frameworks. It represents an important data point for researchers mapping the stability landscape of complex semiconducting materials.
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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