NaN
Sodium nitride is a metastable, semiconducting binary compound formed from sodium and nitrogen that is primarily studied for its complex structural behavior.
About NaN
Sodium nitride is a nitrogen-rich compound that exhibits semiconducting electronic behavior. As a metastable material, it represents a unique intersection of alkali metal reactivity and nitrogen chemistry, requiring specific synthesis conditions to stabilize its structure. Its existence in numerous reported structural forms highlights the complexity of the sodium-nitrogen system. The compound is primarily of interest in fundamental materials science research, particularly in the study of high-pressure phases and the development of nitrogen-containing ionic solids. Its electronic properties make it a subject of investigation for potential specialized applications in solid-state devices.
Key Properties
Cross-validated computational properties for NaN, 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 NaN, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 0.18 | 0.0681 | -6.390 | 2.20 |
| Fddd (No. 70) | orthorhombic | 0.00 | 0.1495 | -6.308 | 1.50 |
| Fm-3m (No. 225) | cubic | 0.00 | 1.1691 | -5.289 | 1.97 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.09 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.61 |
| P-6m2 (No. 187) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 1.58 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.06 |
| P21/c (No. 14) | Monoclinic | — | — | — | 2.50 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.15 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.33 |
Applications
Where NaN is used.
Frequently Asked Questions
Common questions about NaN, answered from cross-validated data.
What is NaN?
Sodium nitride is a metastable, semiconducting binary compound formed from sodium and nitrogen that is primarily studied for its complex structural behavior.
What is NaN used for?
What is the band gap of NaN?
Is NaN a metal, semiconductor, or insulator?
Is NaN thermodynamically stable?
What is the crystal structure of NaN?
What is the density of NaN?
How many polymorphs of NaN are known?
What elements does NaN contain?
Where does the data for NaN come from?
How It Compares
As a distinct binary compound, sodium nitride occupies a unique position in the landscape of alkali metal nitrides, serving as a critical reference point for understanding the bonding and structural trends within this class of materials.
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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