Gd2O6TiZn
Gd2O6TiZn is a metastable, semiconducting quaternary oxide containing gadolinium, titanium, and zinc.
About Gd2O6TiZn
Gd2O6TiZn is a complex oxide composed of gadolinium, titanium, and zinc. As a semiconducting material, it represents a unique intersection of rare-earth and transition metal chemistry, offering a distinct electronic profile for advanced materials research.
Because it exists in a metastable state, this compound is a subject of significant interest for researchers studying phase stability and structural transformation. Its existence across multiple databases underscores its role as a specialized candidate for exploratory solid-state synthesis.
Key Properties
Cross-validated computational properties for Gd2O6TiZn, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Gd2O6TiZn. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for Gd2O6TiZn, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for Gd2O6TiZn, 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/c (No. 14) | monoclinic | 2.76 | 0.0513 | -10.069 | 7.27 |
| P21/c (No. 14) | monoclinic | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting Gd2O6TiZn.
Applications
Where Gd2O6TiZn is used.
Frequently Asked Questions
Common questions about Gd2O6TiZn, answered from cross-validated data.
What is Gd2O6TiZn?
Gd2O6TiZn is a metastable, semiconducting quaternary oxide containing gadolinium, titanium, and zinc.
What is Gd2O6TiZn used for?
What is the band gap of Gd2O6TiZn?
Is Gd2O6TiZn a metal, semiconductor, or insulator?
Is Gd2O6TiZn thermodynamically stable?
What is the crystal structure of Gd2O6TiZn?
What is the density of Gd2O6TiZn?
How many polymorphs of Gd2O6TiZn are known?
How is Gd2O6TiZn synthesized?
What elements does Gd2O6TiZn contain?
Where does the data for Gd2O6TiZn come from?
How It Compares
As a specialized multicomponent oxide, Gd2O6TiZn occupies a niche position in materials science. Without direct structural siblings, it serves as a primary example of how rare-earth elements can be integrated into complex zinc-titanium frameworks to tune electronic behavior.
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)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
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