P3N5
phosphorus pentanitride
Phosphorus pentanitride is a binary inorganic compound composed of phosphorus and nitrogen. It is primarily studied for its potential as a high-performance ceramic material due to its structural stability and chemical resistance.
NP
Overview
Key Properties
Cross-validated computational properties for phosphorus pentanitride, 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.
2.60–3.56 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.
10
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for P3N5, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 3.56 | 0.0000 | -9.571 | 2.76 |
| Imm2 (No. 44) | orthorhombic | 2.60 | 0.0985 | -9.473 | 3.51 |
| Imm2 (No. 44) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.69 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 3.59 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 3.74 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 3.51 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.88 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.76 |
Uses
Applications
Where phosphorus pentanitride is used.
advanced ceramic materials researchprecursor for specialized nitride-based materialshigh-temperature structural component development
Reference
Frequently Asked Questions
Common questions about phosphorus pentanitride, answered from cross-validated data.
What is P3N5?
Phosphorus pentanitride is a binary inorganic compound composed of phosphorus and nitrogen. It is primarily studied for its potential as a high-performance ceramic material due to its structural stability and chemical resistance.
More questions
What is P3N5 used for?
phosphorus pentanitride (P3N5) is used in advanced ceramic materials research, precursor for specialized nitride-based materials, and high-temperature structural component development.
What is the band gap of P3N5?
phosphorus pentanitride (P3N5) has a DFT-computed band gap of 2.60–3.56 eV across 10 reported structures.
Is P3N5 a metal, semiconductor, or insulator?
With a wide band gap up to 3.56 eV it is an insulator / wide-band-gap material.
Is P3N5 thermodynamically stable?
Yes — phosphorus pentanitride (P3N5) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of P3N5?
The lowest-energy reported polymorph of phosphorus pentanitride (P3N5) is monoclinic symmetry, space group C2/c (No. 15).
What is the density of P3N5?
The computed density of the ground-state structure of phosphorus pentanitride (P3N5) is 2.76 g/cm³.
How many polymorphs of P3N5 are known?
10 structures of P3N5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does P3N5 contain?
phosphorus pentanitride (P3N5) contains N and P (2 elements).
Where does the data for P3N5 come from?
P3N5 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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