NaP
Sodium phosphide is a binary inorganic compound composed of sodium and phosphorus. It is primarily studied as a reactive intermediate in chemical synthesis and as a precursor material in solid-state chemistry research.
NaP
Overview
Key Properties
Cross-validated computational properties for NaP, 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.
0.87 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
43
3 databases, 12 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for NaP, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 0.87 | 0.0000 | -6.783 | 2.13 |
| R3 (No. 146) | Trigonal | — | — | — | 2.14 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.72 |
| Cm (No. 8) | Monoclinic | — | — | — | 1.49 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.81 |
| P21/m (No. 11) | Monoclinic | — | — | — | 1.78 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.07 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.39 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 1.52 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 1.84 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 2.29 |
| P212121 (No. 19) | Orthorhombic | — | — | — | 2.11 |
Uses
Applications
Where NaP is used.
Chemical synthesisMaterials science researchPrecursor for phosphorus-based compounds
Reference
Frequently Asked Questions
Common questions about NaP, answered from cross-validated data.
What is NaP?
Sodium phosphide is a binary inorganic compound composed of sodium and phosphorus. It is primarily studied as a reactive intermediate in chemical synthesis and as a precursor material in solid-state chemistry research.
More questions
What is NaP used for?
NaP is used in chemical synthesis, materials science research, and precursor for phosphorus-based compounds.
What is the band gap of NaP?
NaP has a DFT-computed band gap of 0.87 eV across 43 reported structures.
Is NaP a metal, semiconductor, or insulator?
With a band gap up to 0.87 eV it is a semiconductor.
Is NaP thermodynamically stable?
Yes — NaP sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of NaP?
The lowest-energy reported polymorph of NaP is orthorhombic symmetry, space group P212121 (No. 19).
What is the density of NaP?
The computed density of the ground-state structure of NaP is 2.13 g/cm³.
How many polymorphs of NaP are known?
43 structures of NaP are reported across 3 databases, spanning 12 distinct space groups.
What elements does NaP contain?
NaP contains Na and P (2 elements).
Where does the data for NaP come from?
NaP data is cross-referenced from materials_project, mpaloe, jarvis.
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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