Ba4Cd4S8
Ba4Cd4S8 is a semiconducting ternary sulfide compound that is predicted to be stable enough for experimental synthesis.
About Ba4Cd4S8
Ba4Cd4S8 is a complex ternary sulfide composed of barium, cadmium, and sulfur. As a semiconducting material, it occupies a unique position in solid-state chemistry, offering potential for electronic and optoelectronic applications where specific band structures are required for device functionality. Its status as a near-hull material indicates that it is thermodynamically favorable enough to be considered a viable target for laboratory synthesis. Researchers utilize this compound to explore the structural diversity of barium-cadmium-sulfur systems, which are increasingly relevant in the development of advanced inorganic semiconductors. By investigating its structural stability and electronic properties, scientists can better understand how to tune these materials for high-performance applications.
Key Properties
Cross-validated computational properties for Ba4Cd4S8, 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 Ba4Cd4S8, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.74 | 0.0201 | -4.372 | 4.63 |
| — | — | — | — | — | 3.37 |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Ba4Cd4S8 is used.
Frequently Asked Questions
Common questions about Ba4Cd4S8, answered from cross-validated data.
What is Ba4Cd4S8?
Ba4Cd4S8 is a semiconducting ternary sulfide compound that is predicted to be stable enough for experimental synthesis.
What is Ba4Cd4S8 used for?
What is the band gap of Ba4Cd4S8?
Is Ba4Cd4S8 a metal, semiconductor, or insulator?
Is Ba4Cd4S8 thermodynamically stable?
What is the crystal structure of Ba4Cd4S8?
What is the density of Ba4Cd4S8?
How many polymorphs of Ba4Cd4S8 are known?
What elements does Ba4Cd4S8 contain?
Where does the data for Ba4Cd4S8 come from?
How It Compares
As a member of the ternary sulfide family, Ba4Cd4S8 represents a distinct structural arrangement within the broader class of chalcogenide semiconductors. While many related compounds in this class are explored for their light-harvesting or sensing capabilities, this specific stoichiometry offers a unique balance of stability and electronic behavior that distinguishes it from more common, highly symmetric sulfide phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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