Cs4O6Zr2
Cs4O6Zr2 is a stable, insulating complex oxide composed of cesium, oxygen, and zirconium.
About Cs4O6Zr2
Cs4O6Zr2 is a complex oxide featuring cesium and zirconium, characterized by its wide-gap insulating electronic profile. Its position on the thermodynamic convex hull indicates that it is a stable phase, making it a subject of interest for researchers investigating multi-component oxide systems.
As a material with multiple reported structures across databases, this compound serves as an important entry in the study of complex inorganic oxides. Its unique stoichiometry and stability suggest potential utility in specialized dielectric or structural applications where insulating properties are required.
Key Properties
Cross-validated computational properties for Cs4O6Zr2, 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 Cs4O6Zr2, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 3.86 | 0.0000 | -6.931 | 5.15 |
| Cmcm (No. 63) | — | — | — | — | — |
| — | — | — | — | — | 4.21 |
| — | — | — | — | — | 4.97 |
Applications
Where Cs4O6Zr2 is used.
Frequently Asked Questions
Common questions about Cs4O6Zr2, answered from cross-validated data.
What is Cs4O6Zr2?
Cs4O6Zr2 is a stable, insulating complex oxide composed of cesium, oxygen, and zirconium.
What is Cs4O6Zr2 used for?
What is the band gap of Cs4O6Zr2?
Is Cs4O6Zr2 a metal, semiconductor, or insulator?
Is Cs4O6Zr2 thermodynamically stable?
What is the crystal structure of Cs4O6Zr2?
What is the density of Cs4O6Zr2?
How many polymorphs of Cs4O6Zr2 are known?
What elements does Cs4O6Zr2 contain?
Where does the data for Cs4O6Zr2 come from?
How It Compares
As a unique inorganic oxide, Cs4O6Zr2 represents a distinct structural arrangement within the landscape of complex cesium-zirconium-oxygen systems, standing out for its inherent thermodynamic stability.
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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