Nb2Re1Tc1
Nb2Re1Tc1 is a thermodynamically stable, semiconducting intermetallic compound composed of niobium, rhenium, and technetium.
About Nb2Re1Tc1
Nb2Re1Tc1 is a distinct intermetallic compound composed of niobium, rhenium, and technetium. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration within its chemical system, offering a unique structural framework for materials scientists investigating complex ternary alloys.
This material exhibits semiconducting electronic character, marking it as a subject of interest for fundamental studies into the electronic behavior of transition metal combinations. Its presence in structural databases highlights its significance as a well-defined crystalline entity within the broader landscape of refractory metal compounds.
Key Properties
Cross-validated computational properties for Nb2Re1Tc1, 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 Nb2Re1Tc1, 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 | -32.322 | 11.96 |
| Immm (No. 71) | orthorhombic | 0.35 | 4.6579 | -27.665 | 1.04 |
| P2/m (No. 10) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Nb2Re1Tc1 is used.
Frequently Asked Questions
Common questions about Nb2Re1Tc1, answered from cross-validated data.
What is Nb2Re1Tc1?
Nb2Re1Tc1 is a thermodynamically stable, semiconducting intermetallic compound composed of niobium, rhenium, and technetium.
What is Nb2Re1Tc1 used for?
What is the band gap of Nb2Re1Tc1?
Is Nb2Re1Tc1 a metal, semiconductor, or insulator?
Is Nb2Re1Tc1 thermodynamically stable?
What is the crystal structure of Nb2Re1Tc1?
What is the density of Nb2Re1Tc1?
How many polymorphs of Nb2Re1Tc1 are known?
What elements does Nb2Re1Tc1 contain?
Where does the data for Nb2Re1Tc1 come from?
How It Compares
As a unique ternary phase, Nb2Re1Tc1 occupies a specialized niche in materials science, serving as a benchmark for stability in systems involving technetium. It provides a foundational example of how these specific transition metals integrate into a stable, semiconducting lattice structure.
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).
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