C2Cs8O8
cesium oxalate · dicesium oxalate
Cesium oxalate is a chemical compound consisting of cesium, carbon, and oxygen. It is primarily utilized as a precursor in the synthesis of specialized materials and as a reagent in various chemical research applications.
CCsO
Overview
Key Properties
Cross-validated computational properties for cesium oxalate, 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.
0.80–1.70 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.
0.210 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for C2Cs8O8, 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. |
|---|---|---|---|---|---|
| C2 (No. 5) | monoclinic | 1.13 | 0.2103 | -5.187 | 3.95 |
| C2 (No. 5) | monoclinic | 1.29 | 0.2300 | -5.167 | 4.39 |
| I-42m (No. 121) | tetragonal | 0.80 | 0.2335 | -5.164 | 3.55 |
| P-43m (No. 215) | cubic | 1.70 | 0.2468 | -5.150 | 4.15 |
| R3 (No. 146) | trigonal | 1.66 | 0.2498 | -5.147 | 4.13 |
| P1 (No. 1) | — | — | — | — | — |
| — | — | — | — | — | 3.41 |
Uses
Applications
Where cesium oxalate is used.
chemical synthesislaboratory researchprecursor for cesium-based materials
Reference
Frequently Asked Questions
Common questions about cesium oxalate, answered from cross-validated data.
What is C2Cs8O8?
Cesium oxalate is a chemical compound consisting of cesium, carbon, and oxygen. It is primarily utilized as a precursor in the synthesis of specialized materials and as a reagent in various chemical research applications.
More questions
What is C2Cs8O8 used for?
cesium oxalate (C2Cs8O8) is used in chemical synthesis, laboratory research, and precursor for cesium-based materials.
What is the band gap of C2Cs8O8?
cesium oxalate (C2Cs8O8) has a DFT-computed band gap of 0.80–1.70 eV across 7 reported structures.
Is C2Cs8O8 a metal, semiconductor, or insulator?
With a band gap up to 1.70 eV it is a semiconductor.
Is C2Cs8O8 thermodynamically stable?
cesium oxalate (C2Cs8O8) has a lowest energy above hull of 0.210 eV/atom (above hull).
What is the crystal structure of C2Cs8O8?
The lowest-energy reported polymorph of cesium oxalate (C2Cs8O8) is monoclinic symmetry, space group C2 (No. 5).
What is the density of C2Cs8O8?
The computed density of the ground-state structure of cesium oxalate (C2Cs8O8) is 3.95 g/cm³.
How many polymorphs of C2Cs8O8 are known?
7 structures of C2Cs8O8 are reported across 3 databases, spanning 5 distinct space groups.
What elements does C2Cs8O8 contain?
cesium oxalate (C2Cs8O8) contains C, Cs, and O (3 elements).
Where does the data for C2Cs8O8 come from?
C2Cs8O8 data is cross-referenced from materials_project, aflow, omat24.
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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