Cs2O2
Cesium peroxide · Dicesium dioxide
Cesium peroxide is an inorganic compound consisting of cesium and oxygen. It is primarily utilized as a chemical reagent in specialized laboratory research and synthesis processes.
CsO
Overview
Key Properties
Cross-validated computational properties for Cesium peroxide, 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.
1.65 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
102
3 databases, 24 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cs2O2, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 1.65 | 0.0000 | -4.152 | 4.69 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.3011 | -3.851 | 4.45 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.3496 | -3.803 | 4.38 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 2.63 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.21 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 1.22 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 1.38 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 1.78 |
| P2/m (No. 10) | Monoclinic | — | — | — | 1.40 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.59 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.48 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.46 |
Uses
Applications
Where Cesium peroxide is used.
Chemical synthesisLaboratory researchOxidizing agent
Reference
Frequently Asked Questions
Common questions about Cesium peroxide, answered from cross-validated data.
What is Cs2O2?
Cesium peroxide is an inorganic compound consisting of cesium and oxygen. It is primarily utilized as a chemical reagent in specialized laboratory research and synthesis processes.
More questions
What is Cs2O2 used for?
Cesium peroxide (Cs2O2) is used in chemical synthesis, laboratory research, and oxidizing agent.
What is the band gap of Cs2O2?
Cesium peroxide (Cs2O2) has a DFT-computed band gap of 1.65 eV across 102 reported structures.
Is Cs2O2 a metal, semiconductor, or insulator?
With a band gap up to 1.65 eV it is a semiconductor.
Is Cs2O2 thermodynamically stable?
Yes — Cesium peroxide (Cs2O2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cs2O2?
The lowest-energy reported polymorph of Cesium peroxide (Cs2O2) is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Cs2O2?
The computed density of the ground-state structure of Cesium peroxide (Cs2O2) is 4.69 g/cm³.
How many polymorphs of Cs2O2 are known?
102 structures of Cs2O2 are reported across 3 databases, spanning 24 distinct space groups.
What elements does Cs2O2 contain?
Cesium peroxide (Cs2O2) contains Cs and O (2 elements).
Where does the data for Cs2O2 come from?
Cs2O2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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