Y2Se3
Yttrium selenide
Yttrium selenide is a binary inorganic compound consisting of yttrium and selenium. It is primarily utilized in specialized materials science research, particularly in the development of semiconductors and optical components.
SeY
Overview
Key Properties
Cross-validated computational properties for Y2Se3, 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.
1.32–1.60 eV
Range across DFT structures
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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
29
2 databases, 12 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Y2Se3, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 1.32 | 0.0000 | -18.912 | 4.74 |
| I-42d (No. 122) | tetragonal | 1.60 | 0.0596 | -18.852 | 5.54 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 3.96 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.75 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.20 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.08 |
| Fddd (No. 70) | Orthorhombic | — | — | — | 4.67 |
| Fddd (No. 70) | Orthorhombic | — | — | — | 4.79 |
| Fddd (No. 70) | Orthorhombic | — | — | — | 4.74 |
| R3m (No. 160) | Trigonal | — | — | — | 4.92 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.54 |
| Cmmm (No. 65) | Orthorhombic | — | — | — | 4.48 |
Uses
Applications
Where Y2Se3 is used.
Semiconductor researchOptical materials developmentSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Y2Se3, answered from cross-validated data.
What is Y2Se3?
Yttrium selenide is a binary inorganic compound consisting of yttrium and selenium. It is primarily utilized in specialized materials science research, particularly in the development of semiconductors and optical components.
More questions
What is Y2Se3 used for?
Y2Se3 is used in semiconductor research, optical materials development, and solid-state chemistry studies.
What is the band gap of Y2Se3?
Y2Se3 has a DFT-computed band gap of 1.32–1.60 eV across 29 reported structures.
Is Y2Se3 a metal, semiconductor, or insulator?
With a band gap up to 1.60 eV it is a semiconductor.
Is Y2Se3 thermodynamically stable?
Yes — Y2Se3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Y2Se3?
The lowest-energy reported polymorph of Y2Se3 is orthorhombic symmetry, space group Fddd (No. 70).
What is the density of Y2Se3?
The computed density of the ground-state structure of Y2Se3 is 4.74 g/cm³.
How many polymorphs of Y2Se3 are known?
29 structures of Y2Se3 are reported across 2 databases, spanning 12 distinct space groups.
What elements does Y2Se3 contain?
Y2Se3 contains Se and Y (2 elements).
Where does the data for Y2Se3 come from?
Y2Se3 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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