Ba2Dy2Fe4O10
This complex oxide is a member of the layered perovskite-related family of materials. It is primarily studied in academic research settings for its magnetic and structural properties in the field of solid-state physics.
Overview
Key Properties
Cross-validated computational properties for Ba2Dy2Fe4O10, 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.
0.68 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.
0.028 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Ba2Dy2Fe4O10, 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. |
|---|---|---|---|---|---|
| Pmma (No. 51) | orthorhombic | 0.00 | 0.0277 | -7.921 | 6.68 |
| P4/mmm (No. 123) | tetragonal | 0.68 | 0.0550 | -7.894 | 7.09 |
| Pmma (No. 51) | — | — | — | — | — |
| Pmma (No. 51) | — | — | — | — | — |
Uses
Applications
Where Ba2Dy2Fe4O10 is used.
Fundamental condensed matter researchMagnetic materials investigationCrystallographic studies
Reference
Frequently Asked Questions
Common questions about Ba2Dy2Fe4O10, answered from cross-validated data.
What is Ba2Dy2Fe4O10?
This complex oxide is a member of the layered perovskite-related family of materials. It is primarily studied in academic research settings for its magnetic and structural properties in the field of solid-state physics.
What is Ba2Dy2Fe4O10 used for?
Ba2Dy2Fe4O10 is used in fundamental condensed matter research, magnetic materials investigation, and crystallographic studies.
What is the band gap of Ba2Dy2Fe4O10?
Ba2Dy2Fe4O10 has a DFT-computed band gap of 0.68 eV across 4 reported structures.
Is Ba2Dy2Fe4O10 a metal, semiconductor, or insulator?
With a band gap up to 0.68 eV it is a semiconductor.
Is Ba2Dy2Fe4O10 thermodynamically stable?
Ba2Dy2Fe4O10 has a lowest energy above hull of 0.028 eV/atom (metastable).
What is the crystal structure of Ba2Dy2Fe4O10?
The lowest-energy reported polymorph of Ba2Dy2Fe4O10 is orthorhombic symmetry, space group Pmma (No. 51).
What is the density of Ba2Dy2Fe4O10?
The computed density of the ground-state structure of Ba2Dy2Fe4O10 is 6.68 g/cm³.
How many polymorphs of Ba2Dy2Fe4O10 are known?
4 structures of Ba2Dy2Fe4O10 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ba2Dy2Fe4O10 contain?
Ba2Dy2Fe4O10 contains Ba, Dy, Fe, and O (4 elements).
Where does the data for Ba2Dy2Fe4O10 come from?
Ba2Dy2Fe4O10 data is cross-referenced from materials_project, nomad, aflow.
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Related Compounds
Other Spinel and Hexagonal Ferrites in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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