Cs3N3O6
cesium nitrate · cesium trinitrate
Cs3N3O6 is a thermodynamically stable, semiconducting inorganic compound composed of cesium, nitrogen, and oxygen.
About cesium nitrate
Cs3N3O6 is a thermodynamically stable inorganic compound that sits on the convex hull, indicating significant structural robustness. As a semiconducting material, it exhibits electronic properties that distinguish it from simple ionic salts, making it a subject of interest in solid-state chemistry research.
The compound is characterized by a well-documented structural landscape, with multiple reported configurations across major materials databases. Its stability and electronic behavior facilitate its study in advanced chemical synthesis and materials science applications where cesium-based precursors are required.
Key Properties
Cross-validated computational properties for cesium nitrate, 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 Cs3N3O6, 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. |
|---|---|---|---|---|---|
| P3121 (No. 152) | trigonal | 2.36 | 0.0000 | -6.053 | 3.72 |
| P3121 (No. 152) | — | — | — | — | — |
| P3121 (No. 152) | — | — | — | — | — |
| Pm-3m (No. 221) | cubic | — | — | — | 3.21 |
| — | — | — | — | — | 2.95 |
Applications
Where cesium nitrate is used.
Frequently Asked Questions
Common questions about cesium nitrate, answered from cross-validated data.
What is Cs3N3O6?
Cs3N3O6 is a thermodynamically stable, semiconducting inorganic compound composed of cesium, nitrogen, and oxygen.
What is Cs3N3O6 used for?
What is the band gap of Cs3N3O6?
Is Cs3N3O6 a metal, semiconductor, or insulator?
Is Cs3N3O6 thermodynamically stable?
What is the crystal structure of Cs3N3O6?
What is the density of Cs3N3O6?
How many polymorphs of Cs3N3O6 are known?
What elements does Cs3N3O6 contain?
Where does the data for Cs3N3O6 come from?
How It Compares
As a distinct inorganic compound, Cs3N3O6 serves as a stable reference point within the broader family of cesium-nitrogen-oxygen systems, providing a reliable baseline for understanding the structural and electronic evolution of these complex salts.
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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