Re1Ta2Tc1
Re1Ta2Tc1 is a thermodynamically stable semiconducting ternary compound consisting of rhenium, tantalum, and technetium.
About Re1Ta2Tc1
Re1Ta2Tc1 is a complex ternary compound composed of rhenium, tantalum, and technetium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of these transition metals, characterized by its distinct semiconducting electronic nature.
The compound is notable for its structural diversity, with numerous reported configurations across crystallographic databases. Its stability and electronic properties make it a subject of interest for researchers investigating the fundamental behavior of heavy transition metal alloys and their potential for specialized electronic applications.
Key Properties
Cross-validated computational properties for Re1Ta2Tc1, 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 Re1Ta2Tc1, 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 | -44.433 | 16.63 |
| Immm (No. 71) | orthorhombic | 0.16 | 5.1342 | -39.299 | 1.32 |
| R3m (No. 160) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
Applications
Where Re1Ta2Tc1 is used.
Frequently Asked Questions
Common questions about Re1Ta2Tc1, answered from cross-validated data.
What is Re1Ta2Tc1?
Re1Ta2Tc1 is a thermodynamically stable semiconducting ternary compound consisting of rhenium, tantalum, and technetium.
What is Re1Ta2Tc1 used for?
What is the band gap of Re1Ta2Tc1?
Is Re1Ta2Tc1 a metal, semiconductor, or insulator?
Is Re1Ta2Tc1 thermodynamically stable?
What is the crystal structure of Re1Ta2Tc1?
What is the density of Re1Ta2Tc1?
How many polymorphs of Re1Ta2Tc1 are known?
What elements does Re1Ta2Tc1 contain?
Where does the data for Re1Ta2Tc1 come from?
How It Compares
As a unique ternary phase, Re1Ta2Tc1 occupies a distinct position in materials research, serving as a stable reference point for studying the interplay between rhenium, tantalum, and technetium in complex crystalline lattices.
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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