YbSe
YbSe is a semiconducting ytterbium selenide compound known for its structural complexity and metastable nature.
About YbSe
YbSe is a semiconducting binary compound composed of ytterbium and selenium. It represents a complex system within the chalcogenide family, characterized by a diverse range of reported structural configurations across various experimental and computational databases.
Due to its position relative to the thermodynamic ground state, this material is considered metastable. Its electronic properties and structural versatility make it a subject of interest for fundamental studies in solid-state physics and materials science.
Key Properties
Cross-validated computational properties for YbSe, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of YbSe. 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 YbSe, 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 | 2.05 | 0.0000 | -2.212 | — |
| — | — | 2.08 | 0.0000 | -2.106 | — |
| — | — | 2.04 | 0.0002 | -2.106 | — |
| — | — | 1.97 | 0.0014 | -2.105 | — |
| — | — | 2.49 | 0.1432 | -1.963 | — |
| — | — | 0.00 | 0.1866 | -1.920 | — |
| P63/mmc (No. 194) | hexagonal | 2.28 | 0.2024 | -2.009 | — |
| P63/mmc (No. 194) | hexagonal | 2.26 | 0.2298 | -27.042 | 7.69 |
| — | — | 2.96 | 0.3089 | -1.797 | — |
| — | — | 0.70 | 0.3189 | -1.787 | — |
| — | — | 0.70 | 0.3570 | -1.749 | — |
| Fm-3m (No. 225) | cubic | — | — | — | 9.23 |
Applications
Where YbSe is used.
Frequently Asked Questions
Common questions about YbSe, answered from cross-validated data.
What is YbSe?
YbSe is a semiconducting ytterbium selenide compound known for its structural complexity and metastable nature.
What is YbSe used for?
What is the band gap of YbSe?
Is YbSe a metal, semiconductor, or insulator?
Is YbSe thermodynamically stable?
What is the crystal structure of YbSe?
How many polymorphs of YbSe are known?
What elements does YbSe contain?
Where does the data for YbSe come from?
How It Compares
As a unique binary chalcogenide, YbSe serves as a distinct point of study within the broader landscape of rare-earth selenides, offering insights into the structural diversity possible when ytterbium is paired with selenium.
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)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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