GdHO
Gadolinium hydroxide oxide · Gadolinium oxyhydroxide
Gadolinium oxyhydroxide is an inorganic compound that serves as a precursor for the synthesis of various gadolinium-based materials. It is primarily utilized in research and development for advanced ceramics, catalysts, and specialized optical materials.
Key Properties
Cross-validated computational properties for Gadolinium hydroxide oxide, 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 GdHO. 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 GdHO, 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. |
|---|---|---|---|---|---|
| P63/m (No. 176) | hexagonal | 0.25 | 0.0169 | -7.796 | 10.82 |
| No. 0 | unknown | — | — | — | 2.34 |
| F-43m (No. 216) | cubic | — | — | — | 7.38 |
Applications
Where Gadolinium hydroxide oxide is used.
Frequently Asked Questions
Common questions about Gadolinium hydroxide oxide, answered from cross-validated data.
What is GdHO?
Gadolinium oxyhydroxide is an inorganic compound that serves as a precursor for the synthesis of various gadolinium-based materials. It is primarily utilized in research and development for advanced ceramics, catalysts, and specialized optical materials.
What is GdHO used for?
What is the band gap of GdHO?
Is GdHO a metal, semiconductor, or insulator?
Is GdHO thermodynamically stable?
What is the crystal structure of GdHO?
What is the density of GdHO?
How many polymorphs of GdHO are known?
What elements does GdHO contain?
Where does the data for GdHO come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- gnome — Data from GNoME (Google DeepMind). Cite: Merchant et al., Nature 624, 80-85 (2023).
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