NbZn3
NbZn3 is a thermodynamically stable metallic intermetallic compound composed of niobium and zinc.
About NbZn3
NbZn3 is a metallic intermetallic compound characterized by its robust thermodynamic stability, as evidenced by its position on the convex hull. Its electronic structure is defined by metallic behavior, lacking a band gap, which makes it a subject of interest for fundamental studies in solid-state physics and materials science.
The compound is notable for its significant data richness, with numerous documented structures across multiple databases. This extensive characterization underscores its importance as a stable phase within the niobium-zinc binary system, providing a reliable reference point for researchers investigating intermetallic bonding and phase formation.
Key Properties
Cross-validated computational properties for NbZn3, 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 NbZn3, 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 | 0.0000 | -3.634 | 8.03 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 9.29 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 6.32 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 7.63 |
| — | — | — | — | — | — |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 7.16 |
| Cmmm (No. 65) | — | — | — | — | — |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 8.38 |
| Pm-3m (No. 221) | — | — | — | — | — |
| Pm-3m (No. 221) | Cubic | — | — | — | 8.19 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 7.60 |
| Pm-3m (No. 221) | Cubic | — | — | — | 7.80 |
Applications
Where NbZn3 is used.
Frequently Asked Questions
Common questions about NbZn3, answered from cross-validated data.
What is NbZn3?
NbZn3 is a thermodynamically stable metallic intermetallic compound composed of niobium and zinc.
What is NbZn3 used for?
What is the band gap of NbZn3?
Is NbZn3 a metal, semiconductor, or insulator?
Is NbZn3 thermodynamically stable?
What is the crystal structure of NbZn3?
What is the density of NbZn3?
How many polymorphs of NbZn3 are known?
What elements does NbZn3 contain?
Where does the data for NbZn3 come from?
How It Compares
As a stable intermetallic phase, NbZn3 serves as a key representative of its binary system, offering a well-defined structural profile that researchers use to benchmark the properties of niobium-zinc alloys.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- alexandria — Data from alexandria.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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