YSe2
YSe2 is a metastable semiconducting compound composed of yttrium and selenium that exhibits a wide range of structural configurations.
About YSe2
YSe2 is a semiconducting yttrium selenide that exists in a metastable state. Its complex structural landscape is highlighted by a high volume of reported configurations, reflecting the intricate bonding behavior between yttrium and selenium within this binary system. Due to its electronic nature, this compound serves as a subject of interest for researchers investigating non-equilibrium phase stability and the fundamental properties of transition metal chalcogenides. Its ability to adopt numerous structural arrangements makes it a significant case study for understanding phase transitions in selenide materials.
Key Properties
Cross-validated computational properties for YSe2, aggregated across 3 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 YSe2, 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 | 0.13 | 0.0337 | -18.111 | 5.30 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0418 | -18.103 | 5.95 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.36 |
| P1 (No. 1) | Triclinic | — | — | — | 3.07 |
| P1 (No. 1) | Triclinic | — | — | — | 3.06 |
| P1 (No. 1) | Triclinic | — | — | — | 3.61 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.26 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.15 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.87 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 5.11 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.73 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 6.61 |
Applications
Where YSe2 is used.
Frequently Asked Questions
Common questions about YSe2, answered from cross-validated data.
What is YSe2?
YSe2 is a metastable semiconducting compound composed of yttrium and selenium that exhibits a wide range of structural configurations.
What is YSe2 used for?
What is the band gap of YSe2?
Is YSe2 a metal, semiconductor, or insulator?
Is YSe2 thermodynamically stable?
What is the crystal structure of YSe2?
What is the density of YSe2?
How many polymorphs of YSe2 are known?
What elements does YSe2 contain?
Where does the data for YSe2 come from?
How It Compares
As a metastable binary selenide, YSe2 occupies a unique niche in materials science where its structural variety allows for deep exploration into the synthesis of non-equilibrium phases that are not typically found in more stable, ground-state chalcogenides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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