CoBrO
This compound is an inorganic cobalt oxybromide. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of other cobalt-based materials.
Overview
Key Properties
Cross-validated computational properties for CoBrO, 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.
0.60 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.
0.083 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.
Metastable
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CoBrO, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.00 | 0.0830 | -5.409 | 4.37 |
| Pbca (No. 61) | orthorhombic | 0.60 | 0.1029 | -5.389 | 4.34 |
| No. 0 | unknown | — | — | — | 0.55 |
| P21/m (No. 11) | Monoclinic | — | — | — | 5.28 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.71 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.00 |
Uses
Applications
Where CoBrO is used.
Chemical researchMaterials science synthesisCatalyst development
Reference
Frequently Asked Questions
Common questions about CoBrO, answered from cross-validated data.
What is CoBrO?
This compound is an inorganic cobalt oxybromide. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of other cobalt-based materials.
More questions
What is CoBrO used for?
CoBrO is used in chemical research, materials science synthesis, and catalyst development.
What is the band gap of CoBrO?
CoBrO has a DFT-computed band gap of 0.60 eV across 6 reported structures.
Is CoBrO a metal, semiconductor, or insulator?
With a band gap up to 0.60 eV it is a semiconductor.
Is CoBrO thermodynamically stable?
CoBrO has a lowest energy above hull of 0.083 eV/atom (metastable).
What is the crystal structure of CoBrO?
The lowest-energy reported polymorph of CoBrO is triclinic symmetry, space group P1 (No. 1).
What is the density of CoBrO?
The computed density of the ground-state structure of CoBrO is 4.37 g/cm³.
How many polymorphs of CoBrO are known?
6 structures of CoBrO are reported across 3 databases, spanning 4 distinct space groups.
What elements does CoBrO contain?
CoBrO contains Br, Co, and O (3 elements).
Where does the data for CoBrO come from?
CoBrO data is cross-referenced from materials_project, cod, 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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
Analyze CoBrO in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →