Nb2Re1Ta1
Nb2Re1Ta1 is a semiconducting ternary intermetallic compound composed of niobium, rhenium, and tantalum.
About Nb2Re1Ta1
Nb2Re1Ta1 is a complex ternary intermetallic compound composed of niobium, rhenium, and tantalum. As a semiconducting material, it represents a unique intersection of transition metal chemistry, offering a distinct electronic profile that distinguishes it from simple metallic alloys.
Given its position relative to the thermodynamic ground state, this compound is considered metastable, which makes it a subject of significant interest for structural phase studies. Its existence across multiple reported configurations highlights the structural diversity possible within this specific elemental combination.
Key Properties
Cross-validated computational properties for Nb2Re1Ta1, aggregated across 2 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 Nb2Re1Ta1, 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 | 0.32 | 4.8518 | -33.007 | 0.99 |
| F-43m (No. 216) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Nb2Re1Ta1, answered from cross-validated data.
What is Nb2Re1Ta1?
Nb2Re1Ta1 is a semiconducting ternary intermetallic compound composed of niobium, rhenium, and tantalum.
What is the band gap of Nb2Re1Ta1?
Is Nb2Re1Ta1 a metal, semiconductor, or insulator?
Is Nb2Re1Ta1 thermodynamically stable?
What is the crystal structure of Nb2Re1Ta1?
What is the density of Nb2Re1Ta1?
How many polymorphs of Nb2Re1Ta1 are known?
What elements does Nb2Re1Ta1 contain?
Where does the data for Nb2Re1Ta1 come from?
How It Compares
As a unique ternary phase, Nb2Re1Ta1 serves as a specialized example of transition metal combinations that deviate from standard alloy behavior, representing a distinct structural case study within the broader landscape of refractory metal intermetallics.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze Nb2Re1Ta1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →