Ho2Ti2O7
holmium titanate · holmium pyrochlore
Ho2Ti2O7 is a stable, insulating holmium titanate pyrochlore widely studied for its unique magnetic properties.
About holmium titanate
Ho2Ti2O7 is a complex oxide that crystallizes in the pyrochlore structure. As a thermodynamically stable compound, it occupies a significant position on the convex hull, indicating robust structural integrity under standard conditions.
This material functions as a wide-gap insulator, a characteristic that makes it a primary subject for investigating exotic magnetic phenomena such as spin ice behavior. Its unique electronic and structural configuration allows researchers to probe fundamental physics at the intersection of geometry and magnetism.
Key Properties
Cross-validated computational properties for holmium 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 Ho2Ti2O7. 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 Ho2Ti2O7, 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 | 2.97 | 0.0000 | -9.211 | 7.02 |
| Fd-3m (No. 227) | cubic | 2.74 | 0.0000 | -3.593 | — |
| — | — | 2.77 | 0.0044 | -3.569 | — |
| Fd-3m (No. 227) | cubic | 2.72 | 0.0093 | -9.202 | 7.00 |
| Fd-3m (No. 227) | cubic | — | — | — | 6.97 |
| Fd-3m (No. 227) | cubic | — | — | — | 7.18 |
| Fd-3m (No. 227) | cubic | — | — | — | 6.84 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Ho2Ti2O7.
Applications
Where holmium titanate is used.
Frequently Asked Questions
Common questions about holmium titanate, answered from cross-validated data.
What is Ho2Ti2O7?
Ho2Ti2O7 is a stable, insulating holmium titanate pyrochlore widely studied for its unique magnetic properties.
What is Ho2Ti2O7 used for?
What is the band gap of Ho2Ti2O7?
Is Ho2Ti2O7 a metal, semiconductor, or insulator?
Is Ho2Ti2O7 thermodynamically stable?
What is the crystal structure of Ho2Ti2O7?
How many polymorphs of Ho2Ti2O7 are known?
How is Ho2Ti2O7 synthesized?
What elements does Ho2Ti2O7 contain?
Where does the data for Ho2Ti2O7 come from?
How It Compares
As a prominent member of the rare-earth titanate pyrochlore family, Ho2Ti2O7 serves as a benchmark material for studying geometric frustration. It is highly valued for its predictable structural stability compared to other pyrochlore oxides, providing a reliable platform for experimental condensed matter studies.
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.
Analyze Ho2Ti2O7 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →