Ag1Na1Tl2
Ag1Na1Tl2 is a metastable, semimetallic ternary alloy composed of silver, sodium, and thallium used in fundamental materials research.
About Ag1Na1Tl2
Ag1Na1Tl2 is a ternary intermetallic compound composed of silver, sodium, and thallium. Its electronic structure exhibits near-zero-gap behavior, placing it in the category of semimetallic materials that bridge the gap between conductors and semiconductors.
Due to its position above the thermodynamic hull, this compound is considered metastable, reflecting the complex interplay of its constituent elements. It is primarily of interest in fundamental materials science research, where its diverse structural configurations provide insights into the bonding patterns of alkali and transition metal alloys.
Key Properties
Cross-validated computational properties for Ag1Na1Tl2, 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 Ag1Na1Tl2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.09 | 0.9987 | -31.911 | 0.63 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where Ag1Na1Tl2 is used.
Frequently Asked Questions
Common questions about Ag1Na1Tl2, answered from cross-validated data.
What is Ag1Na1Tl2?
Ag1Na1Tl2 is a metastable, semimetallic ternary alloy composed of silver, sodium, and thallium used in fundamental materials research.
What is Ag1Na1Tl2 used for?
What is the band gap of Ag1Na1Tl2?
Is Ag1Na1Tl2 a metal, semiconductor, or insulator?
Is Ag1Na1Tl2 thermodynamically stable?
What is the crystal structure of Ag1Na1Tl2?
What is the density of Ag1Na1Tl2?
How many polymorphs of Ag1Na1Tl2 are known?
What elements does Ag1Na1Tl2 contain?
Where does the data for Ag1Na1Tl2 come from?
How It Compares
As a unique ternary phase, Ag1Na1Tl2 represents a specialized case within the broader landscape of intermetallic compounds, serving as a focal point for studies on structural complexity and phase stability in multi-element systems.
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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