YHSe
YHSe is a thermodynamically stable semiconducting material composed of yttrium, hydrogen, and selenium.
About YHSe
YHSe is a semiconducting compound composed of yttrium, hydrogen, and selenium. As a thermodynamically stable material located on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. Its electronic character suggests potential utility in specialized semiconductor applications where specific band characteristics are required. The material is notable for its structural diversity, supported by multiple reported configurations across research databases, which underscores its significance in fundamental materials exploration. This complexity allows researchers to investigate how its unique atomic arrangement influences its physical and chemical behavior, providing a foundation for future development in electronic or optoelectronic devices.
Key Properties
Cross-validated computational properties for YHSe, 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 YHSe, 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. |
|---|---|---|---|---|---|
| P-6m2 (No. 187) | hexagonal | 1.51 | 0.0000 | -14.353 | 5.61 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.61 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.64 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.75 |
| P-6m2 (No. 187) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 3.16 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.63 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 2.51 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 3.22 |
| P21 (No. 4) | Monoclinic | — | — | — | 4.96 |
Applications
Where YHSe is used.
Frequently Asked Questions
Common questions about YHSe, answered from cross-validated data.
What is YHSe?
YHSe is a thermodynamically stable semiconducting material composed of yttrium, hydrogen, and selenium.
What is YHSe used for?
What is the band gap of YHSe?
Is YHSe a metal, semiconductor, or insulator?
Is YHSe thermodynamically stable?
What is the crystal structure of YHSe?
What is the density of YHSe?
How many polymorphs of YHSe are known?
What elements does YHSe contain?
Where does the data for YHSe come from?
How It Compares
As a unique ternary compound, YHSe occupies a distinct niche in materials science, serving as a primary subject for understanding the interplay between rare-earth metals, chalcogens, and hydride components in a stable crystalline framework.
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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