Cl2Gd2O8W2
Cl2Gd2O8W2 is a semiconducting oxychloride tungstate that is theoretically stable enough to be synthesized for advanced material studies.
About Cl2Gd2O8W2
Cl2Gd2O8W2 is a complex oxychloride tungstate that exhibits semiconducting electronic behavior. Its structural configuration, involving gadolinium and tungsten coordination, places it in a unique category of inorganic compounds that bridge the properties of oxides and halides.
As a near-hull stable phase, this compound is considered a promising candidate for experimental synthesis. Its existence across multiple crystallographic databases highlights its importance as a structural model for understanding complex anionic frameworks in solid-state chemistry.
Key Properties
Cross-validated computational properties for Cl2Gd2O8W2, 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.
Reported Structures
Lowest-energy structures reported for Cl2Gd2O8W2, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 2.55 | 0.0099 | -9.690 | 5.59 |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 5.60 |
Applications
Where Cl2Gd2O8W2 is used.
Frequently Asked Questions
Common questions about Cl2Gd2O8W2, answered from cross-validated data.
What is Cl2Gd2O8W2?
Cl2Gd2O8W2 is a semiconducting oxychloride tungstate that is theoretically stable enough to be synthesized for advanced material studies.
What is Cl2Gd2O8W2 used for?
What is the band gap of Cl2Gd2O8W2?
Is Cl2Gd2O8W2 a metal, semiconductor, or insulator?
Is Cl2Gd2O8W2 thermodynamically stable?
What is the crystal structure of Cl2Gd2O8W2?
What is the density of Cl2Gd2O8W2?
How many polymorphs of Cl2Gd2O8W2 are known?
What elements does Cl2Gd2O8W2 contain?
Where does the data for Cl2Gd2O8W2 come from?
How It Compares
As a specialized oxychloride tungstate, this compound occupies a distinct niche in materials science. Unlike simpler binary oxides or standard tungstates, its inclusion of chlorine atoms within the lattice allows for unique electronic tuning, positioning it as a sophisticated material for researchers exploring non-traditional structural motifs.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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