WBrO
WBrO is a metastable, semiconducting inorganic compound consisting of tungsten, bromine, and oxygen atoms.
About WBrO
WBrO is a complex inorganic compound composed of tungsten, bromine, and oxygen. As a semiconducting material, it exhibits electronic properties that bridge the gap between metallic conductors and insulating oxides, making it a subject of interest for fundamental materials research.
This material is characterized as metastable, meaning it exists in a state that requires specific synthesis conditions to maintain its structural integrity. With multiple reported structures across various databases, it represents a versatile platform for investigating the interplay between heavy transition metals and halogen-oxygen coordination environments.
Key Properties
Cross-validated computational properties for WBrO, aggregated across 2 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of WBrO. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (jarvis) reports a hull energy for WBrO, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for WBrO, 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. |
|---|---|---|---|---|---|
| P4mm (No. 99) | tetragonal | 0.78 | 2.8853 | 1.511 | — |
| P1 (No. 1) | triclinic | — | — | — | 5.90 |
| P-1 (No. 2) | triclinic | — | — | — | 5.86 |
| P-1 (No. 2) | triclinic | — | — | — | 9.88 |
| P21/m (No. 11) | monoclinic | — | — | — | 8.41 |
| P-1 (No. 2) | triclinic | — | — | — | 8.93 |
| P2 (No. 3) | monoclinic | — | — | — | 9.26 |
| P21/m (No. 11) | monoclinic | — | — | — | 8.23 |
| P21/m (No. 11) | monoclinic | — | — | — | 7.85 |
| Pmm2 (No. 25) | orthorhombic | — | — | — | 7.55 |
| Pmmm (No. 47) | orthorhombic | — | — | — | 7.32 |
| Pmma (No. 51) | orthorhombic | — | — | — | 5.88 |
Applications
Where WBrO is used.
Frequently Asked Questions
Common questions about WBrO, answered from cross-validated data.
What is WBrO?
WBrO is a metastable, semiconducting inorganic compound consisting of tungsten, bromine, and oxygen atoms.
What is WBrO used for?
What is the band gap of WBrO?
Is WBrO a metal, semiconductor, or insulator?
Is WBrO thermodynamically stable?
What is the crystal structure of WBrO?
How many polymorphs of WBrO are known?
What elements does WBrO contain?
Where does the data for WBrO come from?
Related Research
How It Compares
As a unique ternary compound, WBrO occupies a specialized niche in materials science where the combination of a transition metal with both a halogen and oxygen creates distinct structural motifs. Without direct structural siblings in this specific chemical class, it serves as an important reference point for understanding how bromine-oxygen bonding influences the electronic behavior of tungsten-based semiconductors.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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