Tc4Zr2
Tc4Zr2 is a thermodynamically stable metallic intermetallic compound composed of technetium and zirconium.
About Tc4Zr2
Tc4Zr2 is a metallic intermetallic compound characterized by its high thermodynamic stability, as evidenced by its position on the convex hull. Its electronic structure is defined by metallic behavior, making it a subject of interest for fundamental studies in transition metal alloys.
With a significant number of reported structures across multiple databases, this material is well-documented in the scientific literature. Its stability and structural diversity provide a robust foundation for exploring the complex interactions between technetium and zirconium.
Key Properties
Cross-validated computational properties for Tc4Zr2, aggregated across 5 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 Tc4Zr2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -25.255 | 9.34 |
| P63/mmc (No. 194) | — | — | — | — | — |
| — | — | — | — | — | 9.33 |
| Pnnm (No. 58) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I41/amd (No. 141) | — | — | — | — | — |
| Fmmm (No. 69) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pnnm (No. 58) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
Applications
Where Tc4Zr2 is used.
Frequently Asked Questions
Common questions about Tc4Zr2, answered from cross-validated data.
What is Tc4Zr2?
Tc4Zr2 is a thermodynamically stable metallic intermetallic compound composed of technetium and zirconium.
What is Tc4Zr2 used for?
What is the band gap of Tc4Zr2?
Is Tc4Zr2 a metal, semiconductor, or insulator?
Is Tc4Zr2 thermodynamically stable?
What is the crystal structure of Tc4Zr2?
What is the density of Tc4Zr2?
How many polymorphs of Tc4Zr2 are known?
What elements does Tc4Zr2 contain?
Where does the data for Tc4Zr2 come from?
How It Compares
As a stable metallic phase, Tc4Zr2 represents a specific structural configuration within the broader landscape of technetium-zirconium binary systems, serving as a benchmark for understanding phase formation in these transition metal combinations.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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