Ba2CdS3
Ba2CdS3 is a thermodynamically stable semiconducting ternary sulfide compound.
About Ba2CdS3
Ba2CdS3 is a ternary sulfide compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of barium, cadmium, and sulfur atoms that maintains integrity under standard conditions.
This material is of interest to researchers investigating novel chalcogenide semiconductors for optoelectronic applications. Its stability and specific atomic configuration make it a subject of ongoing study for potential integration into functional electronic devices where stable semiconducting behavior is required.
Key Properties
Cross-validated computational properties for Ba2CdS3, 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 Ba2CdS3, 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 | 2.09 | 0.0000 | -4.718 | 4.65 |
| Cc (No. 9) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Ba2CdS3 is used.
Frequently Asked Questions
Common questions about Ba2CdS3, answered from cross-validated data.
What is Ba2CdS3?
Ba2CdS3 is a thermodynamically stable semiconducting ternary sulfide compound.
What is Ba2CdS3 used for?
What is the band gap of Ba2CdS3?
Is Ba2CdS3 a metal, semiconductor, or insulator?
Is Ba2CdS3 thermodynamically stable?
What is the crystal structure of Ba2CdS3?
What is the density of Ba2CdS3?
How many polymorphs of Ba2CdS3 are known?
What elements does Ba2CdS3 contain?
Where does the data for Ba2CdS3 come from?
How It Compares
As a distinct ternary sulfide, Ba2CdS3 occupies a unique position within the broader family of barium-cadmium-sulfur compounds. While it lacks direct structural siblings in this specific dataset, it serves as a representative example of how ternary chalcogenides can achieve thermodynamic stability to provide a reliable platform for exploring semiconducting properties in complex inorganic systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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