CoCN
CoCN is a semiconducting cobalt-carbon-nitrogen compound that exists in a metastable state.
About CoCN
CoCN is a cobalt-based compound characterized by its semiconducting electronic nature. It represents a complex chemical system that has been explored through several distinct structural configurations in computational materials research.
Due to its position above the thermodynamic hull, this material is considered metastable or unstable under standard conditions. Its study provides valuable insight into the coordination chemistry of cobalt-carbon-nitrogen systems and the challenges of synthesizing non-equilibrium phases.
Key Properties
Cross-validated computational properties for CoCN, 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.
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.
Reported Structures
Lowest-energy structures reported for CoCN, 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. |
|---|---|---|---|---|---|
| Cmce (No. 64) | orthorhombic | 0.00 | 0.2744 | -10.003 | 2.85 |
| P-1 (No. 2) | triclinic | 0.00 | 0.2747 | -10.003 | 2.86 |
| R3m (No. 160) | trigonal | 0.00 | 0.2934 | -10.477 | 5.74 |
| P-43m (No. 215) | cubic | 0.12 | 0.3552 | -9.922 | 2.46 |
| P-31m (No. 162) | trigonal | 0.00 | 1.0527 | -8.770 | 2.52 |
| P63/mmc (No. 194) | hexagonal | — | — | — | 1.68 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.74 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.84 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.67 |
Frequently Asked Questions
Common questions about CoCN, answered from cross-validated data.
What is CoCN?
CoCN is a semiconducting cobalt-carbon-nitrogen compound that exists in a metastable state.
What is the band gap of CoCN?
Is CoCN a metal, semiconductor, or insulator?
Is CoCN thermodynamically stable?
What is the crystal structure of CoCN?
What is the density of CoCN?
How many polymorphs of CoCN are known?
What elements does CoCN contain?
Where does the data for CoCN come from?
How It Compares
As a unique entry in this database, CoCN serves as a representative example of a cobalt-bearing semiconductor that exists in a metastable state, highlighting the diversity of phases that can be modeled even when they do not represent the ground-state configuration.
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.
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