Ag4Ba8In4S16
This quaternary sulfide compound is a complex inorganic material typically studied for its structural properties and potential electronic behavior. It is primarily utilized in academic research settings to explore the synthesis and characterization of multinary chalcogenide semiconductors.
Key Properties
Cross-validated computational properties for Ag4Ba8In4S16, 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 Ag4Ba8In4S16, 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/c (No. 14) | monoclinic | 1.71 | 0.0041 | -4.768 | 4.67 |
| P21/c (No. 14) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.23 |
Applications
Where Ag4Ba8In4S16 is used.
Frequently Asked Questions
Common questions about Ag4Ba8In4S16, answered from cross-validated data.
What is Ag4Ba8In4S16?
This quaternary sulfide compound is a complex inorganic material typically studied for its structural properties and potential electronic behavior. It is primarily utilized in academic research settings to explore the synthesis and characterization of multinary chalcogenide semiconductors.
What is Ag4Ba8In4S16 used for?
What is the band gap of Ag4Ba8In4S16?
Is Ag4Ba8In4S16 a metal, semiconductor, or insulator?
Is Ag4Ba8In4S16 thermodynamically stable?
What is the crystal structure of Ag4Ba8In4S16?
What is the density of Ag4Ba8In4S16?
How many polymorphs of Ag4Ba8In4S16 are known?
What elements does Ag4Ba8In4S16 contain?
Where does the data for Ag4Ba8In4S16 come from?
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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