Ni2Ta1Zn1
Ni2Ta1Zn1 is a semiconducting ternary compound containing nickel, tantalum, and zinc that exists in a metastable state.
About Ni2Ta1Zn1
Ni2Ta1Zn1 is a complex ternary compound composed of nickel, tantalum, and zinc. As a semiconducting material, it represents a unique intersection of transition metal chemistry, offering potential for specialized electronic applications where specific band characteristics are required. The compound is characterized by a significant number of reported structural variations, indicating a complex energy landscape. Because it exists above the thermodynamic hull, it is considered a metastable phase that requires precise synthesis conditions to stabilize its structure for experimental investigation.
Key Properties
Cross-validated computational properties for Ni2Ta1Zn1, 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 Ni2Ta1Zn1, 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 | 0.25 | 2.9803 | -3.471 | 1.09 |
| Cmmm (No. 65) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where Ni2Ta1Zn1 is used.
Frequently Asked Questions
Common questions about Ni2Ta1Zn1, answered from cross-validated data.
What is Ni2Ta1Zn1?
Ni2Ta1Zn1 is a semiconducting ternary compound containing nickel, tantalum, and zinc that exists in a metastable state.
What is Ni2Ta1Zn1 used for?
What is the band gap of Ni2Ta1Zn1?
Is Ni2Ta1Zn1 a metal, semiconductor, or insulator?
Is Ni2Ta1Zn1 thermodynamically stable?
What is the crystal structure of Ni2Ta1Zn1?
What is the density of Ni2Ta1Zn1?
How many polymorphs of Ni2Ta1Zn1 are known?
What elements does Ni2Ta1Zn1 contain?
Where does the data for Ni2Ta1Zn1 come from?
How It Compares
As a unique ternary phase, Ni2Ta1Zn1 serves as a distinct entry in the study of nickel-tantalum-zinc systems. While it lacks direct structural siblings in this specific grouping, its semiconducting nature and metastable status position it as a subject of interest for researchers exploring non-equilibrium synthesis pathways in intermetallic compounds.
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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