Cs12O12Sb4
Cs12O12Sb4 is a thermodynamically stable, insulating quaternary compound composed of cesium, antimony, and oxygen.
About Cs12O12Sb4
Cs12O12Sb4 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. As a member of the cesium-antimony-oxygen system, it occupies a position on the convex hull, indicating robust structural integrity under standard conditions. Its distinct composition allows for unique coordination environments that are of interest in solid-state chemistry research.
This material is primarily studied for its structural properties and electronic behavior. Given its wide-band-gap nature, it is often investigated for its potential role in specialized dielectric or optical applications where stable, insulating inorganic frameworks are required. The presence of multiple reported structures suggests a rich phase space for this specific stoichiometry.
Key Properties
Cross-validated computational properties for Cs12O12Sb4, 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 Cs12O12Sb4, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 3.08 | 0.0000 | -4.867 | 4.85 |
| — | — | — | — | — | 4.58 |
| — | — | — | — | — | 4.58 |
| P213 (No. 198) | — | — | — | — | — |
Applications
Where Cs12O12Sb4 is used.
Frequently Asked Questions
Common questions about Cs12O12Sb4, answered from cross-validated data.
What is Cs12O12Sb4?
Cs12O12Sb4 is a thermodynamically stable, insulating quaternary compound composed of cesium, antimony, and oxygen.
What is Cs12O12Sb4 used for?
What is the band gap of Cs12O12Sb4?
Is Cs12O12Sb4 a metal, semiconductor, or insulator?
Is Cs12O12Sb4 thermodynamically stable?
What is the crystal structure of Cs12O12Sb4?
What is the density of Cs12O12Sb4?
How many polymorphs of Cs12O12Sb4 are known?
What elements does Cs12O12Sb4 contain?
Where does the data for Cs12O12Sb4 come from?
How It Compares
As a unique inorganic compound, Cs12O12Sb4 represents a distinct structural arrangement within its chemical system. Unlike more common binary oxides, this quaternary material benefits from the stabilizing influence of large cesium cations, which facilitate the formation of complex, stable frameworks that are distinct from simpler antimony-based insulators.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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