Ag4Br28W12
Ag4Br28W12 is a thermodynamically stable semiconducting compound containing silver, bromine, and tungsten.
About Ag4Br28W12
Ag4Br28W12 is a complex inorganic compound composed of silver, bromine, and tungsten. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that has been identified across multiple crystallographic databases. Its electronic character as a semiconductor makes it an intriguing candidate for specialized electronic and optoelectronic research applications. The compound's intricate composition highlights the diversity of metal-halide-tungstate systems, providing a stable platform for investigating charge transport and structural stability in complex inorganic solids. Researchers utilize this material to explore how the interplay between silver cations and the tungsten-bromide framework influences its semiconducting behavior.
Key Properties
Cross-validated computational properties for Ag4Br28W12, 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 Ag4Br28W12, 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 | 2.69 | 0.0000 | -5.652 | 6.23 |
| Pn-3 (No. 201) | cubic | 0.00 | 0.0146 | -5.754 | 5.93 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 4.58 |
Applications
Where Ag4Br28W12 is used.
Frequently Asked Questions
Common questions about Ag4Br28W12, answered from cross-validated data.
What is Ag4Br28W12?
Ag4Br28W12 is a thermodynamically stable semiconducting compound containing silver, bromine, and tungsten.
What is Ag4Br28W12 used for?
What is the band gap of Ag4Br28W12?
Is Ag4Br28W12 a metal, semiconductor, or insulator?
Is Ag4Br28W12 thermodynamically stable?
What is the crystal structure of Ag4Br28W12?
What is the density of Ag4Br28W12?
How many polymorphs of Ag4Br28W12 are known?
What elements does Ag4Br28W12 contain?
Where does the data for Ag4Br28W12 come from?
How It Compares
As a distinct inorganic compound, Ag4Br28W12 serves as a unique entry point into the study of complex silver-tungsten-halide systems. While it currently stands as a singular representative in this specific compositional space, its position on the convex hull marks it as a highly stable reference point for future exploration of related ternary or quaternary halide frameworks.
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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