NbRe
NbRe is a thermodynamically stable, metallic intermetallic compound known for its extensive structural data and potential for specialized metallurgical applications.
About NbRe
NbRe is a metallic intermetallic compound characterized by its high thermodynamic stability, as evidenced by its position on the convex hull. Its electronic structure confirms a metallic nature, lacking a band gap, which makes it a subject of significant interest for fundamental materials research.
With a vast number of reported structures across multiple databases, this compound is a well-documented material. Its stability and structural versatility suggest potential utility in specialized metallurgical and high-performance engineering contexts where metallic bonding is required.
Key Properties
Cross-validated computational properties for NbRe, aggregated across 6 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 NbRe. 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 NbRe, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -0.291 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0000 | -38.750 | 14.19 |
| — | — | 0.00 | 0.0000 | -0.260 | — |
| — | — | 0.00 | 0.0096 | -0.251 | — |
| — | — | 0.00 | 0.4434 | 0.183 | — |
| — | — | 0.00 | 0.5485 | 0.288 | — |
| — | — | 0.00 | 1.2322 | 0.972 | — |
| — | — | 0.00 | 2.2988 | 2.038 | — |
| P1 (No. 1) | triclinic | — | — | — | 16.82 |
| P1 (No. 1) | triclinic | — | — | — | 13.36 |
| P1 (No. 1) | triclinic | — | — | — | 13.73 |
| P1 (No. 1) | triclinic | — | — | — | 12.25 |
Applications
Where NbRe is used.
Frequently Asked Questions
Common questions about NbRe, answered from cross-validated data.
What is NbRe?
NbRe is a thermodynamically stable, metallic intermetallic compound known for its extensive structural data and potential for specialized metallurgical applications.
What is NbRe used for?
What is the band gap of NbRe?
Is NbRe a metal, semiconductor, or insulator?
Is NbRe thermodynamically stable?
What is the crystal structure of NbRe?
What is the density of NbRe?
How many polymorphs of NbRe are known?
What elements does NbRe contain?
Where does the data for NbRe come from?
How It Compares
As a stable intermetallic phase, NbRe represents a distinct binary system that serves as a foundational reference point for niobium-rhenium alloy studies. It occupies a unique position in materials science due to its robust thermodynamic profile and structural complexity compared to simpler binary metallic phases.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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