Ag1As1Na2
Ag1As1Na2 is a thermodynamically stable semiconducting ternary compound containing silver, arsenic, and sodium.
About Ag1As1Na2
Ag1As1Na2 is a distinct ternary compound composed of silver, arsenic, and sodium. As a thermodynamically stable phase located on the convex hull, it represents a robust arrangement of elements that maintains structural integrity under standard conditions. Its electronic character as a semiconductor makes it an intriguing subject for research into specialized electronic and optoelectronic material properties. The material is notable for its structural diversity, with numerous reported configurations across crystallographic databases, reflecting a complex potential energy landscape that allows for various atomic arrangements. This versatility is essential for understanding how ternary alkali-metal pnictides can be tuned for specific functional applications in solid-state chemistry.
Key Properties
Cross-validated computational properties for Ag1As1Na2, 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 Ag1As1Na2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.73 | 0.0000 | -11.275 | 4.20 |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Ag1As1Na2 is used.
Frequently Asked Questions
Common questions about Ag1As1Na2, answered from cross-validated data.
What is Ag1As1Na2?
Ag1As1Na2 is a thermodynamically stable semiconducting ternary compound containing silver, arsenic, and sodium.
What is Ag1As1Na2 used for?
What is the band gap of Ag1As1Na2?
Is Ag1As1Na2 a metal, semiconductor, or insulator?
Is Ag1As1Na2 thermodynamically stable?
What is the crystal structure of Ag1As1Na2?
What is the density of Ag1As1Na2?
How many polymorphs of Ag1As1Na2 are known?
What elements does Ag1As1Na2 contain?
Where does the data for Ag1As1Na2 come from?
How It Compares
As a unique ternary phase, Ag1As1Na2 serves as a foundational example of silver-based alkali pnictides. Unlike simpler binary systems, this compound demonstrates the structural complexity that arises when incorporating noble metals into an arsenic-sodium framework, providing a critical reference point for future studies of similar multinary 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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