Br4W2
Br4W2 is a stable, semiconducting tungsten bromide compound utilized in fundamental materials science research.
About Br4W2
Br4W2 is a tungsten-based bromide compound characterized by its semiconducting electronic nature. As a thermodynamically stable material residing on the convex hull, it represents a robust phase within its chemical system, making it a subject of significant interest for structural analysis and material synthesis.
With numerous reported structures across multiple databases, this compound is well-documented in the scientific literature. Its stability and predictable electronic behavior provide a foundation for understanding the complex interactions between transition metals and halogens in solid-state chemistry.
Key Properties
Cross-validated computational properties for Br4W2, 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 Br4W2, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 2.44 | 0.0000 | -6.260 | 6.17 |
| C2/m (No. 12) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Pnnm (No. 58) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
Applications
Where Br4W2 is used.
Frequently Asked Questions
Common questions about Br4W2, answered from cross-validated data.
What is Br4W2?
Br4W2 is a stable, semiconducting tungsten bromide compound utilized in fundamental materials science research.
What is Br4W2 used for?
What is the band gap of Br4W2?
Is Br4W2 a metal, semiconductor, or insulator?
Is Br4W2 thermodynamically stable?
What is the crystal structure of Br4W2?
What is the density of Br4W2?
How many polymorphs of Br4W2 are known?
What elements does Br4W2 contain?
Where does the data for Br4W2 come from?
How It Compares
As a distinct tungsten bromide, Br4W2 serves as a primary reference point for studying the structural diversity of metal-halide frameworks. Its position on the convex hull highlights its inherent stability compared to less favorable stoichiometric configurations within the tungsten-bromine system.
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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