Dy12Fe20O48
This compound is a complex oxide containing dysprosium and iron. It is primarily studied in the field of solid-state chemistry for its magnetic and structural properties.
Overview
Key Properties
Cross-validated computational properties for Dy12Fe20O48, aggregated across 3 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.
1.90 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.
0.022 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
3
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for Dy12Fe20O48, 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 | 1.90 | 0.0216 | -8.326 | 6.46 |
| — | — | — | — | — | 3.94 |
| Ia-3d (No. 230) | — | — | — | — | — |
Uses
Applications
Where Dy12Fe20O48 is used.
Materials science researchMagnetic property investigation
Reference
Frequently Asked Questions
Common questions about Dy12Fe20O48, answered from cross-validated data.
What is Dy12Fe20O48?
This compound is a complex oxide containing dysprosium and iron. It is primarily studied in the field of solid-state chemistry for its magnetic and structural properties.
More questions
What is Dy12Fe20O48 used for?
Dy12Fe20O48 is used in materials science research and magnetic property investigation.
What is the band gap of Dy12Fe20O48?
Dy12Fe20O48 has a DFT-computed band gap of 1.90 eV across 3 reported structures.
Is Dy12Fe20O48 a metal, semiconductor, or insulator?
With a band gap up to 1.90 eV it is a semiconductor.
Is Dy12Fe20O48 thermodynamically stable?
Dy12Fe20O48 has a lowest energy above hull of 0.022 eV/atom (near hull (likely stable)).
What is the crystal structure of Dy12Fe20O48?
The lowest-energy reported polymorph of Dy12Fe20O48 is cubic symmetry, space group Ia-3d (No. 230).
What is the density of Dy12Fe20O48?
The computed density of the ground-state structure of Dy12Fe20O48 is 6.46 g/cm³.
How many polymorphs of Dy12Fe20O48 are known?
3 structures of Dy12Fe20O48 are reported across 3 databases, spanning 1 distinct space group.
What elements does Dy12Fe20O48 contain?
Dy12Fe20O48 contains Dy, Fe, and O (3 elements).
Where does the data for Dy12Fe20O48 come from?
Dy12Fe20O48 data is cross-referenced from materials_project, omat24, 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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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