FeRe
FeRe is a metallic iron-rhenium compound known for its structural diversity despite its thermodynamic instability.
About FeRe
FeRe is a metallic binary compound composed of iron and rhenium. Its electronic character is defined by its metallic nature, lacking a band gap, which makes it a subject of interest for fundamental studies in transition metal alloys.
While it is classified as thermodynamically unstable relative to its constituent elements, it remains a notable subject of research. It has been extensively characterized across multiple databases, reflecting a high degree of structural complexity and scientific curiosity.
Key Properties
Cross-validated computational properties for FeRe, aggregated across 4 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 FeRe. 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 FeRe, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0000 | -0.020 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.0917 | 0.043 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1018 | 0.053 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.1049 | -10.362 | 15.51 |
| — | — | 0.00 | 0.1159 | 0.096 | — |
| — | — | 0.00 | 0.1228 | 0.103 | — |
| — | — | 0.00 | 0.1686 | 0.148 | — |
| — | — | 0.00 | 0.1849 | 0.165 | — |
| — | — | 0.00 | 0.7404 | 0.720 | — |
| — | — | 0.00 | 0.9687 | 0.948 | — |
| — | — | 0.00 | 1.1057 | 1.085 | — |
| — | — | 0.00 | 1.1922 | 1.172 | — |
Applications
Where FeRe is used.
Frequently Asked Questions
Common questions about FeRe, answered from cross-validated data.
What is FeRe?
FeRe is a metallic iron-rhenium compound known for its structural diversity despite its thermodynamic instability.
What is FeRe used for?
What is the band gap of FeRe?
Is FeRe a metal, semiconductor, or insulator?
Is FeRe thermodynamically stable?
What is the crystal structure of FeRe?
How many polymorphs of FeRe are known?
What elements does FeRe contain?
Where does the data for FeRe come from?
How It Compares
As a binary transition metal alloy, FeRe serves as a distinct case study for understanding phase stability and structural diversity in systems where iron and rhenium interact, highlighting the challenges of synthesizing stable phases in this specific metallic combination.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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