Hg1Sb1Tl2
Hg1Sb1Tl2 is a semimetallic ternary compound composed of mercury, antimony, and thallium that exhibits structural complexity and metastable character.
About Hg1Sb1Tl2
Hg1Sb1Tl2 is a complex ternary compound composed of mercury, antimony, and thallium. Its electronic character is defined as semimetallic, placing it near the boundary of metallic and insulating behavior, which is a subject of interest for fundamental condensed matter research. Given the diversity of reported structural arrangements, it represents a multifaceted system within inorganic chemistry. Because it is positioned above the thermodynamic hull, it is considered a metastable phase, suggesting that its synthesis and preservation require specific kinetic control. Its existence as a distinct structural entity highlights the intricate bonding possibilities between these heavy elements.
Key Properties
Cross-validated computational properties for Hg1Sb1Tl2, 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 Hg1Sb1Tl2, 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 | 0.02 | 0.6731 | -44.706 | 0.96 |
| Cm (No. 8) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Hg1Sb1Tl2, answered from cross-validated data.
What is Hg1Sb1Tl2?
Hg1Sb1Tl2 is a semimetallic ternary compound composed of mercury, antimony, and thallium that exhibits structural complexity and metastable character.
What is the band gap of Hg1Sb1Tl2?
Is Hg1Sb1Tl2 a metal, semiconductor, or insulator?
Is Hg1Sb1Tl2 thermodynamically stable?
What is the crystal structure of Hg1Sb1Tl2?
What is the density of Hg1Sb1Tl2?
How many polymorphs of Hg1Sb1Tl2 are known?
What elements does Hg1Sb1Tl2 contain?
Where does the data for Hg1Sb1Tl2 come from?
How It Compares
As a unique ternary phase, Hg1Sb1Tl2 occupies a specialized niche in materials science where the combination of heavy post-transition metals and metalloids creates complex electronic landscapes. Unlike simpler binary intermetallics, this compound demonstrates the structural variability inherent in multi-element systems where thermodynamic stability is delicately balanced against kinetic factors.
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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