Na2CN2
sodium cyanamide · disodium cyanamide
Sodium cyanamide is a stable, insulating salt composed of sodium and the cyanamide anion.
About sodium cyanamide
Sodium cyanamide is a stable inorganic compound composed of sodium, carbon, and nitrogen. It is characterized by its wide-gap electronic structure, which classifies it as an insulator under standard conditions.
As a thermodynamically stable material residing on the convex hull, it represents a robust phase in nitrogen-containing chemistry. Its structural integrity and electronic properties make it a subject of interest for researchers investigating stable salt-like frameworks.
Key Properties
Cross-validated computational properties for sodium cyanamide, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Na2CN2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Na2CN2, 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. |
|---|---|---|---|---|---|
| — | — | 3.35 | 0.0000 | -0.588 | — |
| C2/m (No. 12) | monoclinic | 3.25 | 0.0000 | -0.594 | — |
| C2/m (No. 12) | monoclinic | 3.02 | 0.0000 | -7.674 | 2.24 |
| — | — | 3.05 | 0.0064 | -0.581 | — |
| C2/m (No. 12) | monoclinic | 3.38 | 0.0142 | -0.580 | — |
| C2/m (No. 12) | monoclinic | 3.37 | 0.0142 | -0.580 | — |
| — | — | 0.00 | 2.7812 | 2.193 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 2.15 |
| C2/m (No. 12) | monoclinic | — | — | — | 2.22 |
| C2/m (No. 12) | monoclinic | — | — | — | 2.16 |
Applications
Where sodium cyanamide is used.
Frequently Asked Questions
Common questions about sodium cyanamide, answered from cross-validated data.
What is Na2CN2?
Sodium cyanamide is a stable, insulating salt composed of sodium and the cyanamide anion.
What is Na2CN2 used for?
What is the band gap of Na2CN2?
Is Na2CN2 a metal, semiconductor, or insulator?
Is Na2CN2 thermodynamically stable?
What is the crystal structure of Na2CN2?
How many polymorphs of Na2CN2 are known?
What elements does Na2CN2 contain?
Where does the data for Na2CN2 come from?
How It Compares
As a standalone representative of its specific chemical configuration, sodium cyanamide serves as a fundamental reference point for understanding the stability and electronic behavior of alkali metal cyanamides.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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