BW
Tungsten monoboride is a stable, metallic compound formed from boron and tungsten that is widely analyzed for its structural properties.
About BW
Tungsten monoboride is a metallic transition-metal boride that occupies a stable position on the thermodynamic convex hull. Its robust structural integrity and electronic properties make it a subject of significant interest in materials science research, particularly for applications requiring durable, conductive inorganic frameworks.
With extensive data available across multiple structural databases, this compound serves as a critical reference point in the study of boron-rich metal systems. Its ability to maintain stability while incorporating heavy tungsten atoms into a boron lattice highlights its importance in the broader class of transition-metal borides.
Key Properties
Cross-validated computational properties for BW, aggregated across 5 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 BW. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for BW, 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. |
|---|---|---|---|---|---|
| I41/amd (No. 141) | tetragonal | 0.00 | 0.0000 | -29.717 | 15.59 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0141 | -29.703 | 15.58 |
| R3m (No. 160) | Trigonal | — | — | — | 15.10 |
| F-43m (No. 216) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 15.90 |
| I41/amd (No. 141) | — | — | — | — | — |
| P4mm (No. 99) | Tetragonal | — | — | — | 9.84 |
| P1 (No. 1) | Triclinic | — | — | — | 12.16 |
| Cm (No. 8) | Monoclinic | — | — | — | 10.24 |
| P1 (No. 1) | Triclinic | — | — | — | 14.23 |
| P4mm (No. 99) | Tetragonal | — | — | — | 8.68 |
| P21/m (No. 11) | Monoclinic | — | — | — | 12.97 |
Applications
Where BW is used.
Frequently Asked Questions
Common questions about BW, answered from cross-validated data.
What is BW?
Tungsten monoboride is a stable, metallic compound formed from boron and tungsten that is widely analyzed for its structural properties.
What is BW used for?
What is the band gap of BW?
Is BW a metal, semiconductor, or insulator?
Is BW thermodynamically stable?
What is the crystal structure of BW?
What is the density of BW?
How many polymorphs of BW are known?
What elements does BW contain?
Where does the data for BW come from?
How It Compares
Within the transition-metal borides class.
Unlike the more complex stoichiometry found in materials like CrB4 or the molybdenum-rich BMo2, tungsten monoboride represents a simpler, highly stable binary phase that provides a fundamental baseline for understanding bonding behavior within the transition-metal boride family.
Related Compounds
Other Transition-Metal Borides in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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