MnCN2
MnCN2 is a metastable, semiconducting compound containing manganese, carbon, and nitrogen that is primarily utilized in fundamental materials science research.
About MnCN2
MnCN2 is a distinct inorganic compound composed of manganese, carbon, and nitrogen. It exhibits semiconducting electronic character, positioning it as an intriguing candidate for specialized electronic and optoelectronic research applications. As a metastable material, it requires precise synthesis conditions to maintain its structural integrity. The existence of multiple reported structural phases across various databases highlights its complex phase space and the ongoing interest in its potential chemical behaviors.
Key Properties
Cross-validated computational properties for MnCN2, aggregated across 4 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 MnCN2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.21 | 0.0705 | -10.815 | 3.35 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 3.47 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.35 |
| P2 (No. 3) | Monoclinic | — | — | — | 5.27 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.37 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.74 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.82 |
| No. 0 | unknown | — | — | — | 0.47 |
Applications
Where MnCN2 is used.
Frequently Asked Questions
Common questions about MnCN2, answered from cross-validated data.
What is MnCN2?
MnCN2 is a metastable, semiconducting compound containing manganese, carbon, and nitrogen that is primarily utilized in fundamental materials science research.
What is MnCN2 used for?
What is the band gap of MnCN2?
Is MnCN2 a metal, semiconductor, or insulator?
Is MnCN2 thermodynamically stable?
What is the crystal structure of MnCN2?
What is the density of MnCN2?
How many polymorphs of MnCN2 are known?
What elements does MnCN2 contain?
Where does the data for MnCN2 come from?
How It Compares
As a unique entry in its chemical space, MnCN2 represents a specialized material whose properties are defined by the interplay of its transition metal and cyanamide-like structural components. Unlike more common binary or ternary oxides, this compound serves as a focal point for exploring unconventional bonding environments in metastable semiconducting systems.
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.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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