SrPN2
SrPN2 is a thermodynamically stable, wide-band-gap insulating compound containing strontium, phosphorus, and nitrogen.
About SrPN2
SrPN2 is a ternary inorganic compound composed of strontium, phosphorus, and nitrogen. As a wide-band-gap insulator, it exhibits electronic characteristics that make it a subject of interest for specialized optoelectronic and dielectric research.
This material is thermodynamically stable, sitting directly on the convex hull, which indicates a robust structural configuration. Its presence across multiple structural databases highlights its significance as a well-defined phase within the strontium-phosphorus-nitrogen system.
Key Properties
Cross-validated computational properties for SrPN2, 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 SrPN2, 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. |
|---|---|---|---|---|---|
| P63 (No. 173) | hexagonal | 4.27 | 0.0000 | -11.059 | 4.97 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.09 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.36 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.07 |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where SrPN2 is used.
Frequently Asked Questions
Common questions about SrPN2, answered from cross-validated data.
What is SrPN2?
SrPN2 is a thermodynamically stable, wide-band-gap insulating compound containing strontium, phosphorus, and nitrogen.
What is SrPN2 used for?
What is the band gap of SrPN2?
Is SrPN2 a metal, semiconductor, or insulator?
Is SrPN2 thermodynamically stable?
What is the crystal structure of SrPN2?
What is the density of SrPN2?
How many polymorphs of SrPN2 are known?
What elements does SrPN2 contain?
Where does the data for SrPN2 come from?
How It Compares
As a member of the ternary pnictide family, SrPN2 represents a stable structural arrangement that serves as a foundational reference point for exploring the broader chemical space of alkaline-earth metal phosphonitrides.
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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