Gd2Ti2O7
Gadolinium titanate · GTO
Gadolinium titanate is a ceramic material that belongs to the pyrochlore family of oxides. It is primarily studied for its structural stability and potential use in advanced electronic and nuclear waste management applications.
Key Properties
Cross-validated computational properties for Gadolinium titanate, 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.
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.
Reported Structures
Lowest-energy structures reported for Gd2Ti2O7, 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. |
|---|---|---|---|---|---|
| Fd-3m (No. 227) | cubic | 0.00 | 0.0104 | -10.874 | 6.56 |
| C2/m (No. 12) | monoclinic | 2.41 | 0.0402 | -10.844 | 6.45 |
| Fd-3m (No. 227) | Cubic | — | — | — | 6.43 |
| Fd-3m (No. 227) | Cubic | — | — | — | 6.75 |
| Fd-3m (No. 227) | Cubic | — | — | — | 6.56 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Gd2Ti2O7.
Applications
Where Gadolinium titanate is used.
Frequently Asked Questions
Common questions about Gadolinium titanate, answered from cross-validated data.
What is Gd2Ti2O7?
Gadolinium titanate is a ceramic material that belongs to the pyrochlore family of oxides. It is primarily studied for its structural stability and potential use in advanced electronic and nuclear waste management applications.
What is Gd2Ti2O7 used for?
What is the band gap of Gd2Ti2O7?
Is Gd2Ti2O7 a metal, semiconductor, or insulator?
Is Gd2Ti2O7 thermodynamically stable?
What is the crystal structure of Gd2Ti2O7?
What is the density of Gd2Ti2O7?
How many polymorphs of Gd2Ti2O7 are known?
How is Gd2Ti2O7 synthesized?
What elements does Gd2Ti2O7 contain?
Where does the data for Gd2Ti2O7 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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