NbRe2Ta
NbRe2Ta is a thermodynamically stable semiconducting intermetallic compound formed from niobium, rhenium, and tantalum.
About NbRe2Ta
NbRe2Ta is a distinct intermetallic compound composed of niobium, rhenium, and tantalum. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its compositional space.
The material exhibits semiconducting electronic character, positioning it as an intriguing candidate for specialized electronic applications. Its existence across multiple reported structures highlights its structural versatility and potential for further investigation in materials science research.
Key Properties
Cross-validated computational properties for NbRe2Ta, 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 NbRe2Ta, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -44.958 | 16.40 |
| Immm (No. 71) | orthorhombic | 0.10 | 5.1041 | -39.854 | 1.46 |
| F-43m (No. 216) | — | — | — | — | — |
| — | — | — | — | — | 15.20 |
Frequently Asked Questions
Common questions about NbRe2Ta, answered from cross-validated data.
What is NbRe2Ta?
NbRe2Ta is a thermodynamically stable semiconducting intermetallic compound formed from niobium, rhenium, and tantalum.
What is the band gap of NbRe2Ta?
Is NbRe2Ta a metal, semiconductor, or insulator?
Is NbRe2Ta thermodynamically stable?
What is the crystal structure of NbRe2Ta?
What is the density of NbRe2Ta?
How many polymorphs of NbRe2Ta are known?
What elements does NbRe2Ta contain?
Where does the data for NbRe2Ta come from?
How It Compares
As a unique ternary intermetallic, NbRe2Ta serves as a foundational reference point for studying the interplay between niobium, rhenium, and tantalum. Its thermodynamic stability distinguishes it as a reliable phase for exploring the electronic behaviors inherent to this specific elemental combination.
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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