Fe4Y2
Fe4Y2 is a stable intermetallic compound formed from iron and yttrium that exhibits metallic electronic behavior.
About Fe4Y2
Fe4Y2 is a distinct intermetallic compound composed of iron and yttrium. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that is frequently documented across multiple crystallographic databases.
Characterized by its metallic electronic nature, this compound is of significant interest in materials science for its structural integrity and potential for specialized alloying applications. Its presence in numerous reported structures highlights its importance as a foundational material in binary iron-yttrium systems.
Key Properties
Cross-validated computational properties for Fe4Y2, 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.
Reported Structures
Lowest-energy structures reported for Fe4Y2, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.00 | 0.0000 | -7.865 | 6.71 |
| I-4 (No. 82) | tetragonal | 0.00 | 0.0020 | -7.863 | 6.91 |
| I-43m (No. 217) | cubic | 0.00 | 0.0030 | -7.862 | 6.96 |
| Fd-3m (No. 227) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
Applications
Where Fe4Y2 is used.
Frequently Asked Questions
Common questions about Fe4Y2, answered from cross-validated data.
What is Fe4Y2?
Fe4Y2 is a stable intermetallic compound formed from iron and yttrium that exhibits metallic electronic behavior.
What is Fe4Y2 used for?
What is the band gap of Fe4Y2?
Is Fe4Y2 a metal, semiconductor, or insulator?
Is Fe4Y2 thermodynamically stable?
What is the crystal structure of Fe4Y2?
What is the density of Fe4Y2?
How many polymorphs of Fe4Y2 are known?
What elements does Fe4Y2 contain?
Where does the data for Fe4Y2 come from?
How It Compares
As a thermodynamically stable binary intermetallic, Fe4Y2 serves as a key reference point for understanding the phase behavior and structural evolution within iron-yttrium systems. It exemplifies the stable configurations possible when balancing transition metal and rare-earth components.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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