Tl2Y2
Tl2Y2 is a thermodynamically stable, metallic intermetallic compound formed from thallium and yttrium.
About Tl2Y2
Tl2Y2 is a metallic intermetallic compound composed of thallium and yttrium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of these two elements, reflecting a favorable energetic state under standard conditions.
This material is of interest to researchers studying complex intermetallic systems. Its metallic nature and structural stability suggest potential utility in fundamental studies of alloy physics and the development of specialized metallic materials where specific atomic packing is required.
Key Properties
Cross-validated computational properties for Tl2Y2, aggregated across 5 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 Tl2Y2, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -37.209 | 9.03 |
| Pm-3m (No. 221) | — | — | — | — | — |
| — | — | — | — | — | 8.13 |
| P63/mmc (No. 194) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Cmme (No. 67) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Pmma (No. 51) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
Applications
Where Tl2Y2 is used.
Frequently Asked Questions
Common questions about Tl2Y2, answered from cross-validated data.
What is Tl2Y2?
Tl2Y2 is a thermodynamically stable, metallic intermetallic compound formed from thallium and yttrium.
What is Tl2Y2 used for?
What is the band gap of Tl2Y2?
Is Tl2Y2 a metal, semiconductor, or insulator?
Is Tl2Y2 thermodynamically stable?
What is the crystal structure of Tl2Y2?
What is the density of Tl2Y2?
How many polymorphs of Tl2Y2 are known?
What elements does Tl2Y2 contain?
Where does the data for Tl2Y2 come from?
How It Compares
As a distinct intermetallic phase, Tl2Y2 serves as a foundational example of binary thallium-yttrium chemistry. It occupies a stable position in the phase diagram, providing a benchmark for understanding how these heavy metal and rare-earth components interact to form ordered structural frameworks.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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