Gd2O3
Gadolinium oxide · Gadolinia
Gadolinium oxide is a stable, semiconducting rare-earth compound widely used in nuclear technology, optics, and material synthesis.
About Gadolinium oxide
Gadolinium oxide is a thermodynamically stable compound that serves as a primary source for gadolinium-based materials. Its semiconducting electronic nature and robust structural integrity make it a versatile component in high-performance technical applications.
This material is widely utilized due to its chemical stability and its ability to withstand extreme environments. It is frequently employed in the synthesis of specialized glasses and as a critical additive in nuclear reactor control rods to manage neutron flux.
Key Properties
Cross-validated computational properties for Gadolinium oxide, aggregated across 5 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 Gd2O3. 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 Gd2O3, 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. |
|---|---|---|---|---|---|
| — | — | 4.08 | 0.0000 | -3.793 | — |
| Ia-3 (No. 206) | cubic | 2.94 | 0.0000 | -12.495 | 7.63 |
| — | — | 4.20 | 0.0126 | -3.780 | — |
| C2/m (No. 12) | monoclinic | 2.90 | 0.0213 | -12.473 | 8.31 |
| P-3m1 (No. 164) | trigonal | 2.97 | 0.0312 | -12.463 | 8.48 |
| — | — | 4.02 | 0.0380 | -3.755 | — |
| — | — | 4.26 | 0.0508 | -3.742 | — |
| — | — | 4.22 | 0.0536 | -3.739 | — |
| — | — | 4.23 | 0.0538 | -3.739 | — |
| — | — | 2.21 | 0.1297 | -3.663 | — |
| P-4m2 (No. 115) | tetragonal | 1.33 | 0.2070 | -12.288 | 7.24 |
| — | — | 1.98 | 0.2099 | -3.583 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Gd2O3.
Applications
Where Gadolinium oxide is used.
Patent Landscape
1 patent reference Gd2O3 or close compositional variants.
| Patent | Title | Assignee | Granted |
|---|---|---|---|
| 8846506 | Enhanced electron mobility at the interface between Gd2O3(100)/N-Si(100) | — | — |
Frequently Asked Questions
Common questions about Gadolinium oxide, answered from cross-validated data.
What is Gd2O3?
Gadolinium oxide is a stable, semiconducting rare-earth compound widely used in nuclear technology, optics, and material synthesis.
What is Gd2O3 used for?
What is the band gap of Gd2O3?
Is Gd2O3 a metal, semiconductor, or insulator?
Is Gd2O3 thermodynamically stable?
What is the crystal structure of Gd2O3?
What is the density of Gd2O3?
How many polymorphs of Gd2O3 are known?
How is Gd2O3 synthesized?
What elements does Gd2O3 contain?
Where does the data for Gd2O3 come from?
How It Compares
As a fundamental rare-earth oxide, gadolinium oxide represents a benchmark for stability and structural versatility within its chemical family, serving as a foundational material for developing complex ceramic and electronic systems.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- aflow — Data from AFLOW (aflow.org). Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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