Rb2CoO3
This compound is a complex oxide containing rubidium and cobalt. It is primarily utilized in solid-state chemistry research to investigate the structural and electronic properties of ternary transition metal oxides.
Overview
Key Properties
Cross-validated computational properties for Rb2CoO3, 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.
0.24–0.77 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
15
3 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Rb2CoO3, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 0.58 | 0.0000 | -5.449 | 4.66 |
| Cmc21 (No. 36) | orthorhombic | 0.47 | 0.0079 | -5.442 | 4.45 |
| Cm (No. 8) | monoclinic | 0.24 | 0.0101 | -5.439 | 4.44 |
| Amm2 (No. 38) | orthorhombic | 0.77 | 0.0133 | -5.436 | 4.39 |
| Cmce (No. 64) | orthorhombic | 0.52 | 0.0570 | -5.392 | 3.86 |
| P21/c (No. 14) | monoclinic | 0.47 | 0.0831 | -5.366 | 3.77 |
| Cmcm (No. 63) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 4.44 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.69 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.62 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.45 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.67 |
Uses
Applications
Where Rb2CoO3 is used.
Solid-state chemistry researchMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about Rb2CoO3, answered from cross-validated data.
What is Rb2CoO3?
This compound is a complex oxide containing rubidium and cobalt. It is primarily utilized in solid-state chemistry research to investigate the structural and electronic properties of ternary transition metal oxides.
More questions
What is Rb2CoO3 used for?
Rb2CoO3 is used in solid-state chemistry research and materials science experimentation.
What is the band gap of Rb2CoO3?
Rb2CoO3 has a DFT-computed band gap of 0.24–0.77 eV across 15 reported structures.
Is Rb2CoO3 a metal, semiconductor, or insulator?
With a band gap up to 0.77 eV it is a semiconductor.
Is Rb2CoO3 thermodynamically stable?
Yes — Rb2CoO3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb2CoO3?
The lowest-energy reported polymorph of Rb2CoO3 is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of Rb2CoO3?
The computed density of the ground-state structure of Rb2CoO3 is 4.66 g/cm³.
How many polymorphs of Rb2CoO3 are known?
15 structures of Rb2CoO3 are reported across 3 databases, spanning 6 distinct space groups.
What elements does Rb2CoO3 contain?
Rb2CoO3 contains Co, O, and Rb (3 elements).
Where does the data for Rb2CoO3 come from?
Rb2CoO3 data is cross-referenced from materials_project, jarvis, mpaloe.
Explore
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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