NaCNO
Sodium cyanate · Sodium isocyanate
Sodium cyanate is an inorganic salt that typically appears as a white crystalline powder. It is primarily utilized as a chemical intermediate in various industrial synthesis processes and as a reagent in organic chemistry.
Key Properties
Cross-validated computational properties for Sodium cyanate, 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 NaCNO, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 4.43 | 0.0000 | -7.171 | 1.96 |
| Cm (No. 8) | monoclinic | 3.79 | 0.2555 | -6.915 | 0.59 |
| R3m (No. 160) | Trigonal | — | — | — | 1.82 |
| R3m (No. 160) | Trigonal | — | — | — | 1.90 |
| R3m (No. 160) | Trigonal | — | — | — | 1.83 |
| R3m (No. 160) | — | — | — | — | — |
Applications
Where Sodium cyanate is used.
Frequently Asked Questions
Common questions about Sodium cyanate, answered from cross-validated data.
What is NaCNO?
Sodium cyanate is an inorganic salt that typically appears as a white crystalline powder. It is primarily utilized as a chemical intermediate in various industrial synthesis processes and as a reagent in organic chemistry.
What is NaCNO used for?
What is the band gap of NaCNO?
Is NaCNO a metal, semiconductor, or insulator?
Is NaCNO thermodynamically stable?
What is the crystal structure of NaCNO?
What is the density of NaCNO?
How many polymorphs of NaCNO are known?
What elements does NaCNO contain?
Where does the data for NaCNO come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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