Nb2TaTi
This material is a complex metallic alloy composed of niobium, tantalum, and titanium. It is primarily studied for its structural properties and potential use in high-performance engineering environments where durability and resilience are required.
Key Properties
Cross-validated computational properties for Nb2TaTi, aggregated across 3 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 Nb2TaTi, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.10 | 4.4240 | -23.325 | 0.83 |
| Cmmm (No. 65) | — | — | — | — | — |
| — | — | — | — | — | 9.47 |
| — | — | — | — | — | 9.47 |
Applications
Where Nb2TaTi is used.
Frequently Asked Questions
Common questions about Nb2TaTi, answered from cross-validated data.
What is Nb2TaTi?
This material is a complex metallic alloy composed of niobium, tantalum, and titanium. It is primarily studied for its structural properties and potential use in high-performance engineering environments where durability and resilience are required.
What is Nb2TaTi used for?
What is the band gap of Nb2TaTi?
Is Nb2TaTi a metal, semiconductor, or insulator?
Is Nb2TaTi thermodynamically stable?
What is the crystal structure of Nb2TaTi?
What is the density of Nb2TaTi?
How many polymorphs of Nb2TaTi are known?
What elements does Nb2TaTi contain?
Where does the data for Nb2TaTi come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- 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).
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