ReSi
ReSi is a metastable metallic compound composed of rhenium and silicon that is investigated for its role in silicon-based anode material research.
About ReSi
ReSi is a metallic silicide compound that exists in a metastable state. Its electronic character distinguishes it from many common semiconducting silicides, making it a subject of interest for fundamental studies in materials science and solid-state chemistry.
Given the high number of reported structures across databases, ReSi represents a complex system within the silicon anode materials class. Its structural diversity provides researchers with a rich platform to investigate how transition metal silicides behave under various conditions relevant to battery technology.
Key Properties
Cross-validated computational properties for ReSi, aggregated across 6 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 ReSi. 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 ReSi, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 0.00 | 0.0000 | -0.176 | — |
| P213 (No. 198) | cubic | 0.00 | 0.0316 | -9.201 | 13.08 |
| — | — | 0.00 | 0.0378 | -0.283 | — |
| — | — | 0.00 | 0.1453 | -0.175 | — |
| — | — | 0.00 | 0.1677 | -0.153 | — |
| — | — | 0.00 | 0.1684 | -0.152 | — |
| — | — | 0.00 | 0.3342 | 0.013 | — |
| — | — | 0.00 | 0.9983 | 0.678 | — |
| — | — | 0.00 | 1.5185 | 1.198 | — |
| P1 (No. 1) | triclinic | — | — | — | 11.03 |
| P1 (No. 1) | triclinic | — | — | — | 8.63 |
| P1 (No. 1) | triclinic | — | — | — | 7.54 |
Applications
Where ReSi is used.
Frequently Asked Questions
Common questions about ReSi, answered from cross-validated data.
What is ReSi?
ReSi is a metastable metallic compound composed of rhenium and silicon that is investigated for its role in silicon-based anode material research.
What is ReSi used for?
What is the band gap of ReSi?
Is ReSi a metal, semiconductor, or insulator?
Is ReSi thermodynamically stable?
What is the crystal structure of ReSi?
How many polymorphs of ReSi are known?
What elements does ReSi contain?
Where does the data for ReSi come from?
How It Compares
Within the silicon anode materials class.
Unlike the more commonly utilized Mg2Si or the widely studied Si, ReSi is characterized by its metallic nature and metastable thermodynamic profile. While materials like MoSi2 are often explored for their refractory properties, ReSi occupies a distinct niche in the silicon anode class due to its specific electronic configuration and the significant structural variety documented in literature.
Related Compounds
Other Silicon Anode Materials in the database.
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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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