TaZn3
TaZn3 is a metallic intermetallic compound formed from tantalum and zinc that shows significant structural diversity and potential for experimental synthesis.
About TaZn3
TaZn3 is a metallic intermetallic compound composed of tantalum and zinc. Its electronic character is defined by a lack of a band gap, consistent with its metallic nature, which facilitates efficient charge transport within its crystalline lattice.
This compound is noted for its structural complexity, with numerous reported configurations across multiple databases. Its near-hull thermodynamic stability suggests that it is a viable target for experimental synthesis and potential integration into specialized alloy systems.
Key Properties
Cross-validated computational properties for TaZn3, 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 TaZn3, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0166 | -18.922 | 10.63 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.15 |
| — | — | — | — | — | 10.31 |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.84 |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.91 |
| — | — | — | — | — | 9.76 |
| Pm-3m (No. 221) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 6.63 |
| Pm-3m (No. 221) | Cubic | — | — | — | 10.26 |
| P21/m (No. 11) | Monoclinic | — | — | — | 8.83 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 9.33 |
Applications
Where TaZn3 is used.
Frequently Asked Questions
Common questions about TaZn3, answered from cross-validated data.
What is TaZn3?
TaZn3 is a metallic intermetallic compound formed from tantalum and zinc that shows significant structural diversity and potential for experimental synthesis.
What is TaZn3 used for?
What is the band gap of TaZn3?
Is TaZn3 a metal, semiconductor, or insulator?
Is TaZn3 thermodynamically stable?
What is the crystal structure of TaZn3?
What is the density of TaZn3?
How many polymorphs of TaZn3 are known?
What elements does TaZn3 contain?
Where does the data for TaZn3 come from?
How It Compares
As a distinct tantalum-zinc intermetallic, TaZn3 occupies a unique niche in binary phase space. While it lacks direct structural siblings in this specific dataset, its propensity for forming diverse crystalline phases highlights the complex bonding interactions common to transition metal-zinc systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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