Hg1Te1Tl2
This material is a ternary thallium mercury telluride compound primarily studied for its unique electronic properties in condensed matter physics. It is investigated for its potential role in advanced semiconductor research and topological insulator studies.
HgTeTl
Overview
Key Properties
Cross-validated computational properties for Hg1Te1Tl2, 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.
2.13 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.
0.465 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.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
26
2 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Hg1Te1Tl2, 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 | 2.13 | 0.4647 | -1.911 | 0.83 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
Uses
Applications
Where Hg1Te1Tl2 is used.
Semiconductor researchCondensed matter physics experimentsTopological insulator development
Reference
Frequently Asked Questions
Common questions about Hg1Te1Tl2, answered from cross-validated data.
What is Hg1Te1Tl2?
This material is a ternary thallium mercury telluride compound primarily studied for its unique electronic properties in condensed matter physics. It is investigated for its potential role in advanced semiconductor research and topological insulator studies.
What is Hg1Te1Tl2 used for?
Hg1Te1Tl2 is used in semiconductor research, condensed matter physics experiments, and topological insulator development.
What is the band gap of Hg1Te1Tl2?
Hg1Te1Tl2 has a DFT-computed band gap of 2.13 eV across 26 reported structures.
Is Hg1Te1Tl2 a metal, semiconductor, or insulator?
With a band gap up to 2.13 eV it is a semiconductor.
Is Hg1Te1Tl2 thermodynamically stable?
Hg1Te1Tl2 has a lowest energy above hull of 0.465 eV/atom (above hull).
What is the crystal structure of Hg1Te1Tl2?
The lowest-energy reported polymorph of Hg1Te1Tl2 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Hg1Te1Tl2?
The computed density of the ground-state structure of Hg1Te1Tl2 is 0.83 g/cm³.
How many polymorphs of Hg1Te1Tl2 are known?
26 structures of Hg1Te1Tl2 are reported across 2 databases, spanning 17 distinct space groups.
What elements does Hg1Te1Tl2 contain?
Hg1Te1Tl2 contains Hg, Te, and Tl (3 elements).
Where does the data for Hg1Te1Tl2 come from?
Hg1Te1Tl2 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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