Hg1Se2Sn1
Hg1Se2Sn1 is a thermodynamically stable semiconducting ternary compound composed of mercury, selenium, and tin.
About Hg1Se2Sn1
Hg1Se2Sn1 is a semiconducting material characterized by its thermodynamic stability, as evidenced by its position on the convex hull. Its structural integrity is supported by a significant body of reported experimental and theoretical configurations, marking it as a notable subject for investigation within complex chalcogenide systems.
This compound represents an intriguing intersection of mercury, selenium, and tin, offering a unique electronic profile. Its stability suggests potential for applications where reliable material performance under varying conditions is required, making it a valuable candidate for research into functional semiconductors.
Key Properties
Cross-validated computational properties for Hg1Se2Sn1, 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 Hg1Se2Sn1, 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. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 0.28 | 0.0000 | -26.137 | 6.81 |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Hg1Se2Sn1 is used.
Frequently Asked Questions
Common questions about Hg1Se2Sn1, answered from cross-validated data.
What is Hg1Se2Sn1?
Hg1Se2Sn1 is a thermodynamically stable semiconducting ternary compound composed of mercury, selenium, and tin.
What is Hg1Se2Sn1 used for?
What is the band gap of Hg1Se2Sn1?
Is Hg1Se2Sn1 a metal, semiconductor, or insulator?
Is Hg1Se2Sn1 thermodynamically stable?
What is the crystal structure of Hg1Se2Sn1?
What is the density of Hg1Se2Sn1?
How many polymorphs of Hg1Se2Sn1 are known?
What elements does Hg1Se2Sn1 contain?
Where does the data for Hg1Se2Sn1 come from?
How It Compares
As a thermodynamically stable member of its chemical family, Hg1Se2Sn1 serves as a foundational example of how mercury-based chalcogenides can achieve structural equilibrium. Unlike less stable variants that may require specific synthesis conditions to persist, this compound maintains a robust configuration that provides a baseline for understanding the electronic behavior of similar ternary systems.
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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