Hg1Tl1Y2
This compound is a complex intermetallic material composed of mercury, thallium, and yttrium. It is primarily studied in the field of condensed matter physics for its unique structural and electronic properties.
HgTlY
Overview
Key Properties
Cross-validated computational properties for Hg1Tl1Y2, 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.
0.000 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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
26
2 databases, 14 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Hg1Tl1Y2, 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 | 0.0000 | -36.326 | 9.25 |
| Immm (No. 71) | orthorhombic | 0.12 | 2.2666 | -34.060 | 0.66 |
| Cmmm (No. 65) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Uses
Applications
Where Hg1Tl1Y2 is used.
Materials science researchSolid-state physics studies
Reference
Frequently Asked Questions
Common questions about Hg1Tl1Y2, answered from cross-validated data.
What is Hg1Tl1Y2?
This compound is a complex intermetallic material composed of mercury, thallium, and yttrium. It is primarily studied in the field of condensed matter physics for its unique structural and electronic properties.
More questions
What is Hg1Tl1Y2 used for?
Hg1Tl1Y2 is used in materials science research and solid-state physics studies.
What is the band gap of Hg1Tl1Y2?
Hg1Tl1Y2 has a DFT-computed band gap of 0.12 eV across 26 reported structures.
Is Hg1Tl1Y2 a metal, semiconductor, or insulator?
With a band gap up to 0.12 eV it is a semiconductor.
Is Hg1Tl1Y2 thermodynamically stable?
Yes — Hg1Tl1Y2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Hg1Tl1Y2?
The lowest-energy reported polymorph of Hg1Tl1Y2 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Hg1Tl1Y2?
The computed density of the ground-state structure of Hg1Tl1Y2 is 9.25 g/cm³.
How many polymorphs of Hg1Tl1Y2 are known?
26 structures of Hg1Tl1Y2 are reported across 2 databases, spanning 14 distinct space groups.
What elements does Hg1Tl1Y2 contain?
Hg1Tl1Y2 contains Hg, Tl, and Y (3 elements).
Where does the data for Hg1Tl1Y2 come from?
Hg1Tl1Y2 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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