Ba8Ga4S14
Ba8Ga4S14 is a semiconducting barium gallium sulfide that is considered a promising target for experimental synthesis due to its favorable thermodynamic stability.
About Ba8Ga4S14
Ba8Ga4S14 is a complex sulfide material composed of barium, gallium, and sulfur. As a semiconducting compound, it represents a specialized structural arrangement that sits near the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis and characterization.
Its significance lies in its unique stoichiometry and electronic nature, which distinguish it within the broader landscape of chalcogenide materials. Researchers study this compound to better understand the interplay between its constituent elements and the resulting physical properties that could be leveraged in future electronic or optical applications.
Key Properties
Cross-validated computational properties for Ba8Ga4S14, 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 Ba8Ga4S14, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 2.64 | 0.0035 | -5.156 | 4.11 |
| P21/m (No. 11) | — | — | — | — | — |
| — | — | — | — | — | 3.45 |
Applications
Where Ba8Ga4S14 is used.
Frequently Asked Questions
Common questions about Ba8Ga4S14, answered from cross-validated data.
What is Ba8Ga4S14?
Ba8Ga4S14 is a semiconducting barium gallium sulfide that is considered a promising target for experimental synthesis due to its favorable thermodynamic stability.
What is Ba8Ga4S14 used for?
What is the band gap of Ba8Ga4S14?
Is Ba8Ga4S14 a metal, semiconductor, or insulator?
Is Ba8Ga4S14 thermodynamically stable?
What is the crystal structure of Ba8Ga4S14?
What is the density of Ba8Ga4S14?
How many polymorphs of Ba8Ga4S14 are known?
What elements does Ba8Ga4S14 contain?
Where does the data for Ba8Ga4S14 come from?
How It Compares
As a distinct sulfide, Ba8Ga4S14 occupies a unique niche in materials science. Without direct structural siblings in this specific class, it serves as a valuable reference point for understanding how complex barium-gallium-sulfur frameworks behave, providing essential data for predictive modeling and the discovery of new functional semiconductors.
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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