Co2Se1Sn1
Co2Se1Sn1 is a stable, semiconducting ternary compound composed of cobalt, selenium, and tin.
About Co2Se1Sn1
Co2Se1Sn1 is a distinct ternary compound characterized by its semiconducting electronic nature. As a material that resides on the thermodynamic convex hull, it exhibits notable structural stability, making it a subject of interest for researchers investigating complex chalcogenide systems.
With numerous reported structures, this compound represents a versatile building block in materials discovery. Its specific combination of cobalt, selenium, and tin allows for unique electronic configurations that are essential for developing next-generation functional materials.
Key Properties
Cross-validated computational properties for Co2Se1Sn1, 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 Co2Se1Sn1, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 0.34 | 0.0000 | -5.140 | 6.31 |
| Cmmm (No. 65) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Co2Se1Sn1 is used.
Frequently Asked Questions
Common questions about Co2Se1Sn1, answered from cross-validated data.
What is Co2Se1Sn1?
Co2Se1Sn1 is a stable, semiconducting ternary compound composed of cobalt, selenium, and tin.
What is Co2Se1Sn1 used for?
What is the band gap of Co2Se1Sn1?
Is Co2Se1Sn1 a metal, semiconductor, or insulator?
Is Co2Se1Sn1 thermodynamically stable?
What is the crystal structure of Co2Se1Sn1?
What is the density of Co2Se1Sn1?
How many polymorphs of Co2Se1Sn1 are known?
What elements does Co2Se1Sn1 contain?
Where does the data for Co2Se1Sn1 come from?
How It Compares
As a standalone ternary phase in this study, Co2Se1Sn1 serves as a foundational example of how cobalt-based chalcogenides can achieve thermodynamic stability while maintaining semiconducting behavior, providing a benchmark for future exploration of similar multi-element 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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