Y
Yttrium · Yttrium metal
Yttrium is a thermodynamically stable metallic element widely utilized for its structural and chemical properties in modern technology.
About Yttrium
Yttrium is a metallic element that occupies a distinct position in the periodic table, characterized by its robust thermodynamic stability. As a pure metal, it exhibits metallic electronic behavior, serving as a foundational building block for various high-performance alloys and specialized chemical compounds. Its ability to remain stable under diverse conditions makes it a critical subject of study in materials science. Researchers frequently analyze its structural diversity, as it appears in numerous crystallographic configurations across scientific databases. This structural flexibility is instrumental in its utility for high-tech manufacturing and metallurgical processes where precise material properties are required.
Key Properties
Cross-validated computational properties for Yttrium, aggregated across 6 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Y. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Y, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.019 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.000 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.000 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -20.314 | 4.37 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | 0.000 | — |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | 0.019 | — |
| — | — | 0.00 | 0.0001 | 0.000 | — |
| — | — | 0.00 | 0.0022 | 0.002 | — |
| — | — | 0.00 | 0.0056 | 0.006 | — |
| — | — | 0.00 | 0.0068 | 0.007 | — |
| — | — | 0.00 | 0.0241 | 0.024 | — |
| — | — | 0.00 | 0.0243 | 0.024 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Y.
Applications
Where Yttrium is used.
Frequently Asked Questions
Common questions about Yttrium, answered from cross-validated data.
What is Y?
Yttrium is a thermodynamically stable metallic element widely utilized for its structural and chemical properties in modern technology.
What is Y used for?
What is the band gap of Y?
Is Y a metal, semiconductor, or insulator?
Is Y thermodynamically stable?
What is the crystal structure of Y?
How many polymorphs of Y are known?
How is Y synthesized?
What elements does Y contain?
Where does the data for Y come from?
How It Compares
As a pure elemental metal, Yttrium functions as a primary constituent in many advanced material systems, providing the base metallic character necessary for alloying and chemical synthesis.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
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