CsHO
Cesium hydroxide · Caustic cesium
Cesium hydroxide is a stable, strongly basic inorganic compound used primarily as a reagent in chemical synthesis.
About Cesium hydroxide
Cesium hydroxide is a thermodynamically stable compound that functions as a robust insulating material. Its unique electronic character and structural reliability make it a significant subject of study within inorganic chemistry, supported by diverse experimental and computational structural data.
As a highly reactive substance, it is primarily utilized for its strong basic properties in laboratory and industrial settings. Its stability on the convex hull underscores its importance as a fundamental chemical building block in advanced synthesis and specialized catalytic processes.
Key Properties
Cross-validated computational properties for Cesium hydroxide, aggregated across 5 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CsHO. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CsHO, 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. |
|---|---|---|---|---|---|
| — | — | 4.19 | 0.0000 | -1.409 | — |
| Cmc21 (No. 36) | orthorhombic | 3.44 | 0.0000 | -4.571 | 4.49 |
| — | — | 3.46 | 0.0005 | -1.408 | — |
| — | — | 0.00 | 0.0095 | -1.399 | — |
| — | — | 3.68 | 0.0137 | -1.395 | — |
| — | — | 3.53 | 0.0256 | -1.383 | — |
| — | — | 3.42 | 0.0259 | -1.383 | — |
| — | — | 0.00 | 0.0300 | -1.379 | — |
| P212121 (No. 19) | orthorhombic | 3.17 | 0.0300 | -4.541 | 3.83 |
| — | — | 0.00 | 0.0342 | -1.375 | — |
| — | — | 3.87 | 0.0439 | -1.365 | — |
| — | — | 3.08 | 0.1550 | -1.254 | — |
Applications
Where Cesium hydroxide is used.
Frequently Asked Questions
Common questions about Cesium hydroxide, answered from cross-validated data.
What is CsHO?
Cesium hydroxide is a stable, strongly basic inorganic compound used primarily as a reagent in chemical synthesis.
What is CsHO used for?
What is the band gap of CsHO?
Is CsHO a metal, semiconductor, or insulator?
Is CsHO thermodynamically stable?
What is the crystal structure of CsHO?
What is the density of CsHO?
How many polymorphs of CsHO are known?
What elements does CsHO contain?
Where does the data for CsHO come from?
How It Compares
As a primary hydroxide of the alkali metal group, this compound serves as a benchmark for high-reactivity bases, offering distinct solubility and chemical behavior compared to lighter group counterparts.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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