Fe20O48Y12
This compound is a complex oxide containing iron, yttrium, and oxygen. It belongs to a class of materials often investigated for their magnetic and structural properties in advanced ceramic research.
Overview
Key Properties
Cross-validated computational properties for Fe20O48Y12, aggregated across 2 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.
1.91 eV
Range across DFT structures
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.
0.024 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
13
2 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Fe20O48Y12, 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. |
|---|---|---|---|---|---|
| Ia-3d (No. 230) | cubic | 1.91 | 0.0235 | -8.589 | 4.95 |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
| Ia-3d (No. 230) | — | — | — | — | — |
Uses
Applications
Where Fe20O48Y12 is used.
Materials science researchMagnetic material studiesCeramic development
Reference
Frequently Asked Questions
Common questions about Fe20O48Y12, answered from cross-validated data.
What is Fe20O48Y12?
This compound is a complex oxide containing iron, yttrium, and oxygen. It belongs to a class of materials often investigated for their magnetic and structural properties in advanced ceramic research.
More questions
What is Fe20O48Y12 used for?
Fe20O48Y12 is used in materials science research, magnetic material studies, and ceramic development.
What is the band gap of Fe20O48Y12?
Fe20O48Y12 has a DFT-computed band gap of 1.91 eV across 13 reported structures.
Is Fe20O48Y12 a metal, semiconductor, or insulator?
With a band gap up to 1.91 eV it is a semiconductor.
Is Fe20O48Y12 thermodynamically stable?
Fe20O48Y12 has a lowest energy above hull of 0.024 eV/atom (near hull (likely stable)).
What is the crystal structure of Fe20O48Y12?
The lowest-energy reported polymorph of Fe20O48Y12 is cubic symmetry, space group Ia-3d (No. 230).
What is the density of Fe20O48Y12?
The computed density of the ground-state structure of Fe20O48Y12 is 4.95 g/cm³.
How many polymorphs of Fe20O48Y12 are known?
13 structures of Fe20O48Y12 are reported across 2 databases, spanning 1 distinct space group.
What elements does Fe20O48Y12 contain?
Fe20O48Y12 contains Fe, O, and Y (3 elements).
Where does the data for Fe20O48Y12 come from?
Fe20O48Y12 data is cross-referenced from materials_project, aflow.
Explore
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
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).
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