Dy2Ti2O7
Dysprosium titanate · DTO
Dysprosium titanate is a stable, insulating pyrochlore oxide widely researched for its fascinating magnetic properties.
About Dysprosium titanate
Dysprosium titanate is a complex oxide that crystallizes in the pyrochlore structure. As a thermodynamically stable material, it occupies a significant position on the convex hull, ensuring structural integrity under various conditions.
This wide-gap insulator is highly valued in condensed matter physics for its unique magnetic behavior. Its electronic character and crystalline arrangement make it a primary subject for studying exotic states of matter and frustrated magnetism.
Key Properties
Cross-validated computational properties for Dysprosium titanate, 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.
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 Dy2Ti2O7. 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 Dy2Ti2O7, 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. |
|---|---|---|---|---|---|
| P21 (No. 4) | monoclinic | 3.43 | 0.0000 | -9.213 | 6.90 |
| Fd-3m (No. 227) | cubic | 2.75 | 0.0000 | -3.588 | — |
| — | — | 2.70 | 0.0003 | -3.565 | — |
| Fd-3m (No. 227) | cubic | 2.73 | 0.0093 | -9.203 | 6.88 |
| C2/m (No. 12) | monoclinic | 2.53 | 0.0454 | -9.167 | 6.69 |
| P-1 (No. 2) | triclinic | 1.84 | 0.1529 | -9.060 | 6.51 |
| Imma (No. 74) | orthorhombic | 1.20 | 0.3669 | -8.846 | 6.65 |
| — | — | 0.00 | 0.5587 | -3.007 | — |
| Fd-3m (No. 227) | cubic | — | — | — | 6.73 |
| Fd-3m (No. 227) | cubic | — | — | — | 6.86 |
| Fd-3m (No. 227) | cubic | — | — | — | 7.03 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Dy2Ti2O7.
Applications
Where Dysprosium titanate is used.
Frequently Asked Questions
Common questions about Dysprosium titanate, answered from cross-validated data.
What is Dy2Ti2O7?
Dysprosium titanate is a stable, insulating pyrochlore oxide widely researched for its fascinating magnetic properties.
What is Dy2Ti2O7 used for?
What is the band gap of Dy2Ti2O7?
Is Dy2Ti2O7 a metal, semiconductor, or insulator?
Is Dy2Ti2O7 thermodynamically stable?
What is the crystal structure of Dy2Ti2O7?
How many polymorphs of Dy2Ti2O7 are known?
How is Dy2Ti2O7 synthesized?
What elements does Dy2Ti2O7 contain?
Where does the data for Dy2Ti2O7 come from?
How It Compares
As a prominent member of the pyrochlore family, this compound serves as a cornerstone for understanding spin-ice phenomena. It is widely regarded as one of the most-studied materials in its class, providing a benchmark for the behavior of rare-earth titanates.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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