Cd8Se12Si2
Cd8Se12Si2 is a semiconducting ternary compound containing cadmium, selenium, and silicon that is predicted to be synthesizable.
About Cd8Se12Si2
Cd8Se12Si2 is a complex ternary compound composed of cadmium, selenium, and silicon. Its electronic character identifies it as a semiconductor, positioning it as a candidate for specialized optoelectronic applications where specific band structures are required. The material exhibits thermodynamic stability near the hull, suggesting that it is a viable target for experimental synthesis. Its presence across multiple structural databases highlights its significance as a subject of ongoing computational materials research.
Key Properties
Cross-validated computational properties for Cd8Se12Si2, aggregated across 3 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 Cd8Se12Si2, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 0.82 | 0.0143 | -3.554 | 5.17 |
| Cc (No. 9) | — | — | — | — | — |
| Cc (No. 9) | — | — | — | — | — |
| Cc (No. 9) | — | — | — | — | — |
| — | — | — | — | — | 4.72 |
Applications
Where Cd8Se12Si2 is used.
Frequently Asked Questions
Common questions about Cd8Se12Si2, answered from cross-validated data.
What is Cd8Se12Si2?
Cd8Se12Si2 is a semiconducting ternary compound containing cadmium, selenium, and silicon that is predicted to be synthesizable.
What is Cd8Se12Si2 used for?
What is the band gap of Cd8Se12Si2?
Is Cd8Se12Si2 a metal, semiconductor, or insulator?
Is Cd8Se12Si2 thermodynamically stable?
What is the crystal structure of Cd8Se12Si2?
What is the density of Cd8Se12Si2?
How many polymorphs of Cd8Se12Si2 are known?
What elements does Cd8Se12Si2 contain?
Where does the data for Cd8Se12Si2 come from?
How It Compares
As a unique ternary phase within this chemical system, Cd8Se12Si2 serves as a foundational example of how integrating silicon into cadmium-selenide frameworks can alter electronic properties. It represents an important data point for researchers mapping the stability landscape of complex chalcogenide-silicide materials.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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