Class Statistics
What are Transition-Metal Borides?
Transition-metal borides represent a unique class of materials that bridge the gap between metallic conductors and structural ceramics. Chemically, these compounds consist of transition metals bonded to boron atoms, forming complex crystal lattices that often feature covalent boron-boron networks interspersed with metallic bonding. This hybrid electronic structure is the source of their remarkable physical properties, most notably their extreme hardness, high melting points, and excellent thermal and electrical conductivity. Because of these characteristics, transition-metal borides are frequently categorized as ultra-hard ceramics. They are essential in industrial applications requiring high wear resistance and chemical stability under harsh conditions. For instance, titanium diboride is widely utilized in aluminum smelting because it resists corrosion from molten metal while maintaining structural integrity. Beyond structural utility, this class includes materials with intriguing quantum properties; magnesium diboride, for example, is a well-known superconductor that functions at temperatures significantly higher than many conventional metallic superconductors. Other notable members include rhenium diboride, which is studied for its exceptional hardness and potential in high-pressure research, and tungsten borides, which are explored for their ability to balance hardness with fracture toughness. As research into these materials advances, they continue to be at the forefront of developing next-generation cutting tools, protective coatings, and advanced electronic components. Their versatility stems from the ability to tune the metal-to-boron ratio, allowing scientists to tailor the material's mechanical and electronic behavior for specific technological needs.
Top Transition-Metal Borides
Ranked by data richness — literature synthesis coverage, multi-source DFT corroboration, and patent activity.
| Formula | Band Gap | Best EAH (eV/atom) | Stability | DFT Sources | Recipes |
|---|---|---|---|---|---|
| BW | Metallic / not reported | 0.0000 | On hull (stable) | 3 | 0 |
| CrB4 | 0.13 eV | 0.0000 | On hull (stable) | 2 | 0 |
| B3Mo | Metallic / not reported | 0.0025 | Near hull (likely stable) | 2 | 0 |
| BMo | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| BMo2 | Metallic / not reported | 0.0271 | Metastable | 2 | 0 |
| B2Ta2 | Metallic / not reported | 0.0000 | On hull (stable) | 3 | 0 |
| B2Mo | Metallic / not reported | 0.0000 | On hull (stable) | 3 | 0 |
| B2Mo3 | Metallic / not reported | 0.0230 | Near hull (likely stable) | 3 | 0 |
| MgB4 | 0.36 eV | 0.0000 | On hull (stable) | 1 | 0 |
| B2Hf2 | Metallic / not reported | 0.3499 | Above hull | 2 | 0 |
| B4Cr1 | 0.13 eV | 0.0000 | On hull (stable) | 1 | 0 |
| CrB | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| HfB | Metallic / not reported | 0.3499 | Above hull | 2 | 0 |
| NbB | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| TaB | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| TiB | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| VB | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| ZrB | Metallic / not reported | 0.3296 | Above hull | 2 | 0 |
| B3W2 | Metallic / not reported | — | Not assessed | 3 | 0 |
| B5Mo2 | Metallic / not reported | 0.4355 | Above hull | 3 | 0 |
| B8Cr2 | 0.13 eV | 0.0000 | On hull (stable) | 1 | 0 |
| B5W2 | Metallic / not reported | 0.5343 | Above hull | 3 | 0 |
| B4Mg1 | 0.36 eV | 0.0000 | On hull (stable) | 1 | 0 |
| MgB7 | 1.54 eV | 0.0000 | On hull (stable) | 1 | 0 |
| B16Cr4 | 0.13 eV | 0.0000 | On hull (stable) | 1 | 0 |
| B16Mg4 | 0.36 eV | 0.0000 | On hull (stable) | 1 | 0 |
| B28Mg4 | 1.54 eV | 0.0000 | On hull (stable) | 1 | 0 |
| B64Mg16 | 0.36 eV | 0.0000 | On hull (stable) | 1 | 0 |
| B7Mg | 1.54 eV | 0.0000 | On hull (stable) | 1 | 0 |
| B7Mg1 | 1.54 eV | 0.0000 | On hull (stable) | 1 | 0 |
| B2V2 | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| B2Mo2 | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| B2W | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| BW2 | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| Cr2B | Metallic / not reported | 0.0672 | Metastable | 2 | 0 |
| CrB2 | Metallic / not reported | 0.0671 | Metastable | 2 | 0 |
| HfB2 | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| MgB2 | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| NbB2 | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| Ta2B | Metallic / not reported | 0.0337 | Metastable | 2 | 0 |
| TaB2 | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| Ti2B | Metallic / not reported | 0.1603 | Above hull | 2 | 0 |
| TiB2 | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| VB2 | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| ZrB2 | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| B2Zr2 | Metallic / not reported | 0.3296 | Above hull | 2 | 0 |
| B3Cr2 | Metallic / not reported | 0.0455 | Metastable | 2 | 0 |
| Nb3B2 | Metallic / not reported | 0.0000 | On hull (stable) | 2 | 0 |
| MgB3 | Metallic / not reported | 0.4736 | Above hull | 2 | 0 |
| B4Mo | Metallic / not reported | 0.2580 | Above hull | 2 | 0 |
Frequently Asked Questions
How many transition-metal borides are in the database?
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Which transition-metal boride has the widest band gap?
What makes transition-metal borides different from standard ceramics?
Why are these materials important for industrial smelting?
Are all transition-metal borides superconducting?
How does the boron content influence the material's properties?
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