Re1Ta2V1
Re1Ta2V1 is a semiconducting ternary compound of rhenium, tantalum, and vanadium that is considered a promising candidate for synthesis.
About Re1Ta2V1
Re1Ta2V1 is a complex ternary compound composed of rhenium, tantalum, and vanadium. Its electronic character is defined as semiconducting, positioning it as a material of interest for specialized electronic or optoelectronic research where specific band structures are required. The compound exhibits near-hull stability, suggesting that it is a viable candidate for experimental synthesis. With a significant number of reported structures in computational databases, it represents a well-characterized system for researchers investigating multi-metallic phase spaces.
Key Properties
Cross-validated computational properties for Re1Ta2V1, 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 Re1Ta2V1, 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 | 0.0038 | -41.230 | 15.47 |
| Immm (No. 71) | orthorhombic | 0.18 | 4.9892 | -36.244 | 1.27 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
Applications
Where Re1Ta2V1 is used.
Frequently Asked Questions
Common questions about Re1Ta2V1, answered from cross-validated data.
What is Re1Ta2V1?
Re1Ta2V1 is a semiconducting ternary compound of rhenium, tantalum, and vanadium that is considered a promising candidate for synthesis.
What is Re1Ta2V1 used for?
What is the band gap of Re1Ta2V1?
Is Re1Ta2V1 a metal, semiconductor, or insulator?
Is Re1Ta2V1 thermodynamically stable?
What is the crystal structure of Re1Ta2V1?
What is the density of Re1Ta2V1?
How many polymorphs of Re1Ta2V1 are known?
What elements does Re1Ta2V1 contain?
Where does the data for Re1Ta2V1 come from?
How It Compares
As a unique ternary system, Re1Ta2V1 serves as a distinct entry point for exploring the interplay between transition metals in semiconducting frameworks. Without direct structural siblings in this specific class, it stands as a standalone subject for studying the stabilization of complex metallic 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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