Re1Ta2Ti1
Re1Ta2Ti1 is a semiconducting ternary intermetallic compound that is considered thermodynamically stable enough to be synthesized in a laboratory setting.
About Re1Ta2Ti1
Re1Ta2Ti1 is a complex ternary compound composed of rhenium, tantalum, and titanium. It exhibits semiconducting electronic properties, positioning it as an intriguing subject for research into specialized electronic materials where precise control over charge carrier behavior is required. Its structural complexity is highlighted by a significant number of reported configurations within materials databases, suggesting a rich landscape of potential atomic arrangements. Because it is classified as a near-hull material, it is considered thermodynamically accessible and a viable target for laboratory synthesis. This stability makes it a valuable addition to the study of transition metal intermetallics, potentially offering unique physical properties that differ from those of its constituent elemental components.
Key Properties
Cross-validated computational properties for Re1Ta2Ti1, 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 Re1Ta2Ti1, 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 | 0.0202 | -40.884 | 14.83 |
| Immm (No. 71) | orthorhombic | 0.16 | 4.8910 | -36.013 | 1.11 |
| Pm (No. 6) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
Applications
Where Re1Ta2Ti1 is used.
Frequently Asked Questions
Common questions about Re1Ta2Ti1, answered from cross-validated data.
What is Re1Ta2Ti1?
Re1Ta2Ti1 is a semiconducting ternary intermetallic compound that is considered thermodynamically stable enough to be synthesized in a laboratory setting.
What is Re1Ta2Ti1 used for?
What is the band gap of Re1Ta2Ti1?
Is Re1Ta2Ti1 a metal, semiconductor, or insulator?
Is Re1Ta2Ti1 thermodynamically stable?
What is the crystal structure of Re1Ta2Ti1?
What is the density of Re1Ta2Ti1?
How many polymorphs of Re1Ta2Ti1 are known?
What elements does Re1Ta2Ti1 contain?
Where does the data for Re1Ta2Ti1 come from?
How It Compares
As a unique ternary intermetallic, Re1Ta2Ti1 serves as a distinct case study within the broader landscape of transition metal alloys. Without direct siblings in this specific ternary class, it stands as an isolated example of how the combination of rhenium, tantalum, and titanium can result in a semiconducting phase, providing a foundational reference point for future studies into similar multi-element metallic systems.
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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