ReSe2
rhenium diselenide · rhenium selenide
ReSe2 is a stable, semiconducting transition-metal dichalcogenide known for its unique structural anisotropy and potential in advanced electronic technologies.
About rhenium diselenide
Rhenium diselenide is a transition-metal dichalcogenide characterized by its semiconducting electronic nature. As a thermodynamically stable material residing on the convex hull, it maintains structural integrity, making it a subject of significant interest in materials science research. Its distinct layered arrangement allows for precise manipulation at the atomic scale, facilitating its use in next-generation electronic and optoelectronic devices. The material is supported by a wealth of structural data, reflecting its prominence in current condensed matter studies.
Key Properties
Cross-validated computational properties for rhenium diselenide, aggregated across 5 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 ReSe2. 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 ReSe2, 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. |
|---|---|---|---|---|---|
| — | — | 1.25 | 0.0000 | -0.394 | — |
| P-1 (No. 2) | triclinic | 1.14 | 0.0000 | -27.474 | 8.62 |
| P-1 (No. 2) | triclinic | 1.07 | 0.0000 | -0.380 | — |
| — | — | 1.25 | 0.0010 | -0.393 | — |
| — | — | 0.00 | 0.1078 | -0.286 | — |
| — | — | 0.18 | 0.2172 | -0.177 | — |
| — | — | 0.00 | 0.2993 | -0.095 | — |
| — | — | 0.00 | 0.2999 | -0.094 | — |
| — | — | 0.00 | 0.3003 | -0.094 | — |
| — | — | 0.00 | 0.3006 | -0.094 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.3007 | -27.174 | 8.45 |
| — | — | 0.00 | 0.3026 | -0.092 | — |
Applications
Where rhenium diselenide is used.
Frequently Asked Questions
Common questions about rhenium diselenide, answered from cross-validated data.
What is ReSe2?
ReSe2 is a stable, semiconducting transition-metal dichalcogenide known for its unique structural anisotropy and potential in advanced electronic technologies.
What is ReSe2 used for?
What is the band gap of ReSe2?
Is ReSe2 a metal, semiconductor, or insulator?
Is ReSe2 thermodynamically stable?
What is the crystal structure of ReSe2?
What is the density of ReSe2?
How many polymorphs of ReSe2 are known?
What elements does ReSe2 contain?
Where does the data for ReSe2 come from?
How It Compares
Within the transition-metal dichalcogenides class.
Unlike the more common hexagonal transition-metal dichalcogenides such as MoS2 or MoSe2, ReSe2 crystallizes in a distorted structure that leads to unique anisotropic physical properties. This structural deviation from its siblings, including ReS2, grants it distinct optical and electrical behaviors that are highly sought after for directional device applications.
Related Compounds
Other Transition-Metal Dichalcogenides in the database.
Data sources & attribution
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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