Y2Zn17
Yttrium zincide is an intermetallic compound composed of yttrium and zinc. It is primarily studied for its structural properties and behavior within complex alloy systems.
YZn
Overview
Key Properties
Cross-validated computational properties for Y2Zn17, 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.
Metallic / not reported
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
5 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Y2Zn17, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0000 | -10.385 | 7.28 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0035 | -10.382 | 6.98 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 6.96 |
| R-3m (No. 166) | Trigonal | — | — | — | 7.35 |
| R-3m (No. 166) | Trigonal | — | — | — | 7.29 |
Uses
Applications
Where Y2Zn17 is used.
Materials science researchAlloy developmentFundamental condensed matter physics studies
Reference
Frequently Asked Questions
Common questions about Y2Zn17, answered from cross-validated data.
What is Y2Zn17?
Yttrium zincide is an intermetallic compound composed of yttrium and zinc. It is primarily studied for its structural properties and behavior within complex alloy systems.
More questions
What is Y2Zn17 used for?
Y2Zn17 is used in materials science research, alloy development, and fundamental condensed matter physics studies.
What is the band gap of Y2Zn17?
Y2Zn17 is computed to be metallic (no band gap) in the reported DFT structures.
Is Y2Zn17 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Y2Zn17 thermodynamically stable?
Yes — Y2Zn17 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Y2Zn17?
The lowest-energy reported polymorph of Y2Zn17 is trigonal symmetry, space group R-3m (No. 166).
What is the density of Y2Zn17?
The computed density of the ground-state structure of Y2Zn17 is 7.28 g/cm³.
How many polymorphs of Y2Zn17 are known?
11 structures of Y2Zn17 are reported across 5 databases, spanning 2 distinct space groups.
What elements does Y2Zn17 contain?
Y2Zn17 contains Y and Zn (2 elements).
Where does the data for Y2Zn17 come from?
Y2Zn17 data is cross-referenced from materials_project, jarvis, aflow, nomad, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- mpaloe — Data from mpaloe.
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