In1Tl1Y2
In1Tl1Y2 is a semimetallic ternary intermetallic compound composed of indium, thallium, and yttrium that is considered likely to be synthesizable.
About In1Tl1Y2
In1Tl1Y2 is a complex ternary intermetallic compound composed of indium, thallium, and yttrium. Its electronic character is defined as near-zero-gap, placing it within the category of semimetallic materials that exhibit unique charge carrier dynamics. The structural arrangement of these elements reflects a delicate balance in bonding, typical of advanced multi-component metallic systems.
From a thermodynamic perspective, this compound is situated near the convex hull, suggesting it is a viable candidate for experimental synthesis. Given its structural diversity across reported databases, it represents a significant subject for researchers investigating the interplay between heavy p-block elements and rare-earth components in solid-state chemistry.
Key Properties
Cross-validated computational properties for In1Tl1Y2, 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 In1Tl1Y2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0037 | -29.626 | 7.68 |
| Immm (No. 71) | orthorhombic | 0.08 | 2.4035 | -27.226 | 0.57 |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
Applications
Where In1Tl1Y2 is used.
Frequently Asked Questions
Common questions about In1Tl1Y2, answered from cross-validated data.
What is In1Tl1Y2?
In1Tl1Y2 is a semimetallic ternary intermetallic compound composed of indium, thallium, and yttrium that is considered likely to be synthesizable.
What is In1Tl1Y2 used for?
What is the band gap of In1Tl1Y2?
Is In1Tl1Y2 a metal, semiconductor, or insulator?
Is In1Tl1Y2 thermodynamically stable?
What is the crystal structure of In1Tl1Y2?
What is the density of In1Tl1Y2?
How many polymorphs of In1Tl1Y2 are known?
What elements does In1Tl1Y2 contain?
Where does the data for In1Tl1Y2 come from?
How It Compares
As a unique ternary intermetallic, In1Tl1Y2 occupies a specialized niche in materials science where the combination of indium, thallium, and yttrium allows for distinct electronic tuning. While it lacks direct structural siblings in this specific grouping, it serves as a critical reference point for understanding how semimetallic behavior emerges in complex, near-hull stable intermetallic phases.
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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