Ta2NbRe
This compound is a complex metallic alloy composed of tantalum, niobium, and rhenium. It is primarily studied in materials science research for its structural properties and potential behavior in extreme environments.
NbReTa
Overview
Key Properties
Cross-validated computational properties for Ta2NbRe, 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.
0.23 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ta2NbRe, 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 | -43.856 | 15.66 |
| Immm (No. 71) | orthorhombic | 0.23 | 5.0611 | -38.795 | 1.31 |
| Fm-3m (No. 225) | Cubic | — | — | — | 15.47 |
| Fm-3m (No. 225) | Cubic | — | — | — | 16.17 |
| Fm-3m (No. 225) | Cubic | — | — | — | 15.66 |
| Fm-3m (No. 225) | — | — | — | — | — |
Uses
Applications
Where Ta2NbRe is used.
Materials science researchHigh-temperature alloy development studies
Reference
Frequently Asked Questions
Common questions about Ta2NbRe, answered from cross-validated data.
What is Ta2NbRe?
This compound is a complex metallic alloy composed of tantalum, niobium, and rhenium. It is primarily studied in materials science research for its structural properties and potential behavior in extreme environments.
More questions
What is Ta2NbRe used for?
Ta2NbRe is used in materials science research and high-temperature alloy development studies.
What is the band gap of Ta2NbRe?
Ta2NbRe has a DFT-computed band gap of 0.23 eV across 6 reported structures.
Is Ta2NbRe a metal, semiconductor, or insulator?
With a band gap up to 0.23 eV it is a semiconductor.
Is Ta2NbRe thermodynamically stable?
Yes — Ta2NbRe sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Ta2NbRe?
The lowest-energy reported polymorph of Ta2NbRe is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Ta2NbRe?
The computed density of the ground-state structure of Ta2NbRe is 15.66 g/cm³.
How many polymorphs of Ta2NbRe are known?
6 structures of Ta2NbRe are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ta2NbRe contain?
Ta2NbRe contains Nb, Re, and Ta (3 elements).
Where does the data for Ta2NbRe come from?
Ta2NbRe data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze Ta2NbRe in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →