B2Ta2
B2Ta2 is a thermodynamically stable metallic ceramic compound composed of boron and tantalum, utilized in advanced materials research for extreme environments.
About B2Ta2
B2Ta2 is a metallic ultra-high-temperature ceramic that sits firmly on the thermodynamic convex hull, indicating exceptional stability. Its unique electronic character and robust bonding make it a subject of significant interest for materials scientists studying phase behavior in extreme conditions.
With a high degree of structural diversity reported across multiple databases, this compound serves as a key reference point for understanding the complex interplay between boron and transition metals. It is primarily investigated for its potential to withstand the harsh environments typical of aerospace and thermal protection systems.
Key Properties
Cross-validated computational properties for B2Ta2, 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.
Reported Structures
Lowest-energy structures reported for B2Ta2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | -28.833 | 14.14 |
| P63/mmc (No. 194) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P-3m1 (No. 164) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
Applications
Where B2Ta2 is used.
Frequently Asked Questions
Common questions about B2Ta2, answered from cross-validated data.
What is B2Ta2?
B2Ta2 is a thermodynamically stable metallic ceramic compound composed of boron and tantalum, utilized in advanced materials research for extreme environments.
What is B2Ta2 used for?
What is the band gap of B2Ta2?
Is B2Ta2 a metal, semiconductor, or insulator?
Is B2Ta2 thermodynamically stable?
What is the crystal structure of B2Ta2?
What is the density of B2Ta2?
How many polymorphs of B2Ta2 are known?
What elements does B2Ta2 contain?
Where does the data for B2Ta2 come from?
How It Compares
Within the ultra-high-temperature ceramics class.
Within the family of ultra-high-temperature ceramics, B2Ta2 distinguishes itself from more conventional carbides like HfC or ZrC by its distinct metallic nature and specific stoichiometry. While compounds such as CZr and Hf3N4 are often prioritized for their refractory properties, B2Ta2 offers a unique structural profile that provides researchers with a broader understanding of how transition metal borides behave compared to their nitride and carbide counterparts.
Related Compounds
Other Ultra-High-Temperature Ceramics in the database.
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).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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