Gd8O4Se8
Gd8O4Se8 is a semiconducting gadolinium oxyselenide compound that is considered a promising candidate for experimental synthesis due to its favorable thermodynamic stability.
About Gd8O4Se8
Gd8O4Se8 is a complex oxyselenide composed of gadolinium, oxygen, and selenium. As a semiconducting material, it exhibits electronic properties that bridge the gap between traditional oxides and chalcogenides, making it a unique candidate for fundamental materials exploration. Its position near the thermodynamic hull suggests that it is a viable target for experimental synthesis and structural characterization. The compound has been identified across multiple structural databases, reflecting its status as a recognized, albeit specialized, inorganic phase. Its potential utility lies in the development of novel functional materials where the interplay of rare-earth cations and mixed-anion coordination environments can be precisely tuned.
Key Properties
Cross-validated computational properties for Gd8O4Se8, aggregated across 4 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 Gd8O4Se8, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.42 | 0.0063 | -10.818 | 7.14 |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.83 |
| — | — | — | — | — | 5.44 |
Applications
Where Gd8O4Se8 is used.
Frequently Asked Questions
Common questions about Gd8O4Se8, answered from cross-validated data.
What is Gd8O4Se8?
Gd8O4Se8 is a semiconducting gadolinium oxyselenide compound that is considered a promising candidate for experimental synthesis due to its favorable thermodynamic stability.
What is Gd8O4Se8 used for?
What is the band gap of Gd8O4Se8?
Is Gd8O4Se8 a metal, semiconductor, or insulator?
Is Gd8O4Se8 thermodynamically stable?
What is the crystal structure of Gd8O4Se8?
What is the density of Gd8O4Se8?
How many polymorphs of Gd8O4Se8 are known?
What elements does Gd8O4Se8 contain?
Where does the data for Gd8O4Se8 come from?
How It Compares
As a member of the rare-earth oxyselenide family, Gd8O4Se8 occupies a distinct niche in solid-state chemistry. Unlike simpler binary chalcogenides, its mixed-anion framework allows for greater structural complexity, providing a platform for studying how oxygen and selenium coordination influences electronic behavior in gadolinium-based systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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