MnCN
MnCN is a semiconducting manganese carbonitride compound that exists in various structural forms despite its thermodynamic instability.
About MnCN
MnCN is an intriguing inorganic compound composed of manganese, carbon, and nitrogen. As a semiconducting material, it represents a unique intersection of transition metal chemistry and cyanide-based coordination, offering potential for specialized electronic applications.
While the compound is currently categorized as thermodynamically unstable relative to its decomposition products, it remains a subject of interest for researchers investigating metastable phases. Its existence across multiple reported structures highlights the complexity of its bonding environment and the challenges in synthesizing stable configurations.
Key Properties
Cross-validated computational properties for MnCN, 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 MnCN, 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. |
|---|---|---|---|---|---|
| P-43m (No. 215) | cubic | 1.54 | 0.3495 | -10.348 | 1.96 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 3.57 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 3.95 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 5.53 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.32 |
| No. 0 | unknown | — | — | — | 0.96 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 3.85 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 5.87 |
| P1 (No. 1) | Triclinic | — | — | — | 3.85 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.84 |
| P1 (No. 1) | Triclinic | — | — | — | 4.83 |
| Pn-3m (No. 224) | cubic | — | — | — | 0.58 |
Frequently Asked Questions
Common questions about MnCN, answered from cross-validated data.
What is MnCN?
MnCN is a semiconducting manganese carbonitride compound that exists in various structural forms despite its thermodynamic instability.
What is the band gap of MnCN?
Is MnCN a metal, semiconductor, or insulator?
Is MnCN thermodynamically stable?
What is the crystal structure of MnCN?
What is the density of MnCN?
How many polymorphs of MnCN are known?
What elements does MnCN contain?
Where does the data for MnCN come from?
How It Compares
As a singular entry in this dataset, MnCN serves as a foundational example of manganese-based carbonitride chemistry, illustrating the structural diversity possible even in systems that reside above the thermodynamic hull.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
Analyze MnCN in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →