Ag8Ba8S48Sc24
Ag8Ba8S48Sc24 is a stable, complex quaternary sulfide semiconductor composed of silver, barium, sulfur, and scandium.
About Ag8Ba8S48Sc24
Ag8Ba8S48Sc24 is a complex quaternary sulfide characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement of silver, barium, sulfur, and scandium atoms. Its structural integrity makes it a subject of interest for fundamental solid-state research. The material is primarily investigated for its potential in specialized electronic or optoelectronic applications where stable, complex sulfide frameworks are required to tune specific physical properties. Its presence across multiple structural databases underscores its significance as a well-defined inorganic compound.
Key Properties
Cross-validated computational properties for Ag8Ba8S48Sc24, 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 Ag8Ba8S48Sc24, 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 | 1.48 | 0.0000 | -6.424 | 3.76 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 2.87 |
Applications
Where Ag8Ba8S48Sc24 is used.
Frequently Asked Questions
Common questions about Ag8Ba8S48Sc24, answered from cross-validated data.
What is Ag8Ba8S48Sc24?
Ag8Ba8S48Sc24 is a stable, complex quaternary sulfide semiconductor composed of silver, barium, sulfur, and scandium.
What is Ag8Ba8S48Sc24 used for?
What is the band gap of Ag8Ba8S48Sc24?
Is Ag8Ba8S48Sc24 a metal, semiconductor, or insulator?
Is Ag8Ba8S48Sc24 thermodynamically stable?
What is the crystal structure of Ag8Ba8S48Sc24?
What is the density of Ag8Ba8S48Sc24?
How many polymorphs of Ag8Ba8S48Sc24 are known?
What elements does Ag8Ba8S48Sc24 contain?
Where does the data for Ag8Ba8S48Sc24 come from?
How It Compares
As a unique quaternary sulfide, Ag8Ba8S48Sc24 occupies a distinct position in materials science, serving as a benchmark for complex chalcogenide stability. Unlike simpler binary or ternary sulfides, this compound demonstrates how the integration of multiple metal centers can stabilize intricate lattice geometries, providing a foundation for exploring new semiconducting materials in the absence of more common, simpler analogs.
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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