Re1Tc1Zr2
Re1Tc1Zr2 is a metastable semiconducting intermetallic compound composed of rhenium, technetium, and zirconium.
About Re1Tc1Zr2
Re1Tc1Zr2 is a complex intermetallic compound composed of rhenium, technetium, and zirconium. As a semiconducting material, it exhibits unique electronic properties that distinguish it from typical metallic alloys, making it a subject of interest for fundamental research into transition metal systems.
Despite its structural diversity with numerous reported configurations, the compound is characterized as being above the thermodynamic hull. This suggests that it is a metastable phase, requiring specific synthesis conditions to stabilize its structure for potential experimental investigation.
Key Properties
Cross-validated computational properties for Re1Tc1Zr2, 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 Re1Tc1Zr2, 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 | 0.10 | 4.1469 | -6.107 | 0.92 |
| C2/m (No. 12) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Re1Tc1Zr2 is used.
Frequently Asked Questions
Common questions about Re1Tc1Zr2, answered from cross-validated data.
What is Re1Tc1Zr2?
Re1Tc1Zr2 is a metastable semiconducting intermetallic compound composed of rhenium, technetium, and zirconium.
What is Re1Tc1Zr2 used for?
What is the band gap of Re1Tc1Zr2?
Is Re1Tc1Zr2 a metal, semiconductor, or insulator?
Is Re1Tc1Zr2 thermodynamically stable?
What is the crystal structure of Re1Tc1Zr2?
What is the density of Re1Tc1Zr2?
How many polymorphs of Re1Tc1Zr2 are known?
What elements does Re1Tc1Zr2 contain?
Where does the data for Re1Tc1Zr2 come from?
How It Compares
As a unique ternary combination of rhenium, technetium, and zirconium, this compound occupies a specialized niche in materials science. Without direct structural siblings in this specific class, it serves as a distinct case study for how heavy transition metals and refractory elements interact to form semiconducting phases that exist in metastable states.
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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