NaP5
Sodium pentaphosphide is a binary inorganic compound composed of sodium and phosphorus. It is primarily studied as a specialized material in solid-state chemistry and materials research for its unique structural properties.
NaP
Overview
Key Properties
Cross-validated computational properties for NaP5, 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.
1.40 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.
0.010 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for NaP5, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.40 | 0.0100 | -8.327 | 2.35 |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.30 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.37 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 2.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.14 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.61 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.02 |
| P1 (No. 1) | Triclinic | — | — | — | 3.85 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.13 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 3.00 |
Uses
Applications
Where NaP5 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about NaP5, answered from cross-validated data.
What is NaP5?
Sodium pentaphosphide is a binary inorganic compound composed of sodium and phosphorus. It is primarily studied as a specialized material in solid-state chemistry and materials research for its unique structural properties.
More questions
What is NaP5 used for?
NaP5 is used in materials science research and solid-state chemistry studies.
What is the band gap of NaP5?
NaP5 has a DFT-computed band gap of 1.40 eV across 11 reported structures.
Is NaP5 a metal, semiconductor, or insulator?
With a band gap up to 1.40 eV it is a semiconductor.
Is NaP5 thermodynamically stable?
NaP5 has a lowest energy above hull of 0.010 eV/atom (near hull (likely stable)).
What is the crystal structure of NaP5?
The lowest-energy reported polymorph of NaP5 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of NaP5?
The computed density of the ground-state structure of NaP5 is 2.35 g/cm³.
How many polymorphs of NaP5 are known?
11 structures of NaP5 are reported across 3 databases, spanning 5 distinct space groups.
What elements does NaP5 contain?
NaP5 contains Na and P (2 elements).
Where does the data for NaP5 come from?
NaP5 data is cross-referenced from materials_project, jarvis, mpaloe.
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.
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