Tl1Y2Zn1
This compound is a ternary intermetallic material composed of thallium, yttrium, and zinc. It is primarily studied in academic research settings to understand the structural and electronic properties of complex metallic phases.
TlYZn
Overview
Key Properties
Cross-validated computational properties for Tl1Y2Zn1, 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.
0.12 eV
Range across DFT structures
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.
0.027 eV/atom
Best (lowest) across sources
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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
27
2 databases, 13 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Tl1Y2Zn1, 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 | 0.0266 | -26.100 | 7.45 |
| Immm (No. 71) | orthorhombic | 0.12 | 2.3904 | -23.737 | 0.51 |
| Cmmm (No. 65) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
Uses
Applications
Where Tl1Y2Zn1 is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about Tl1Y2Zn1, answered from cross-validated data.
What is Tl1Y2Zn1?
This compound is a ternary intermetallic material composed of thallium, yttrium, and zinc. It is primarily studied in academic research settings to understand the structural and electronic properties of complex metallic phases.
More questions
What is Tl1Y2Zn1 used for?
Tl1Y2Zn1 is used in materials science research and solid-state physics studies.
What is the band gap of Tl1Y2Zn1?
Tl1Y2Zn1 has a DFT-computed band gap of 0.12 eV across 27 reported structures.
Is Tl1Y2Zn1 a metal, semiconductor, or insulator?
With a band gap up to 0.12 eV it is a semiconductor.
Is Tl1Y2Zn1 thermodynamically stable?
Tl1Y2Zn1 has a lowest energy above hull of 0.027 eV/atom (metastable).
What is the crystal structure of Tl1Y2Zn1?
The lowest-energy reported polymorph of Tl1Y2Zn1 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Tl1Y2Zn1?
The computed density of the ground-state structure of Tl1Y2Zn1 is 7.45 g/cm³.
How many polymorphs of Tl1Y2Zn1 are known?
27 structures of Tl1Y2Zn1 are reported across 2 databases, spanning 13 distinct space groups.
What elements does Tl1Y2Zn1 contain?
Tl1Y2Zn1 contains Tl, Y, and Zn (3 elements).
Where does the data for Tl1Y2Zn1 come from?
Tl1Y2Zn1 data is cross-referenced from materials_project, aflow.
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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