TaW
TaW is a metallic intermetallic compound formed from tantalum and tungsten that is considered a viable candidate for experimental synthesis.
About TaW
TaW is a metallic intermetallic compound composed of tantalum and tungsten. Its electronic character is defined by its metallic nature, lacking a band gap, which is typical for binary refractory metal systems.
This material is considered near-hull, indicating that it is thermodynamically stable enough to be a candidate for synthesis. With a significant number of reported structures across various databases, it represents a well-documented phase in the study of transition metal alloys.
Key Properties
Cross-validated computational properties for TaW, 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 TaW. 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 TaW, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -0.106 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0026 | -50.029 | 17.99 |
| — | — | 0.00 | 0.0040 | -0.102 | — |
| — | — | 0.00 | 0.0188 | -0.087 | — |
| — | — | 0.00 | 0.1542 | 0.049 | — |
| — | — | 0.00 | 0.1681 | 0.063 | — |
| — | — | 0.00 | 0.1791 | 0.073 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.2715 | -0.066 | — |
| — | — | 0.00 | 0.3422 | 0.237 | — |
| — | — | 0.00 | 0.4291 | 0.323 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.4939 | 0.156 | — |
| — | — | 0.00 | 0.5135 | 0.408 | — |
Applications
Where TaW is used.
Frequently Asked Questions
Common questions about TaW, answered from cross-validated data.
What is TaW?
TaW is a metallic intermetallic compound formed from tantalum and tungsten that is considered a viable candidate for experimental synthesis.
What is TaW used for?
What is the band gap of TaW?
Is TaW a metal, semiconductor, or insulator?
Is TaW thermodynamically stable?
How many polymorphs of TaW are known?
What elements does TaW contain?
Where does the data for TaW come from?
How It Compares
As a binary intermetallic, TaW serves as a fundamental example of how tantalum and tungsten interact at the atomic scale to form stable metallic phases, contributing to the broader understanding of refractory metal solid solutions and intermetallic compounds.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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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