SrP2
Strontium diphosphide is a binary inorganic compound composed of strontium and phosphorus. It is primarily utilized as a precursor material in solid-state chemistry research for the synthesis of advanced phosphide-based materials.
PSr
Overview
Key Properties
Cross-validated computational properties for SrP2, 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.
0.80 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)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
53
3 databases, 13 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SrP2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.80 | 0.0000 | -11.971 | 3.38 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.43 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.84 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.92 |
| C2/c (No. 15) | Monoclinic | — | — | — | 2.99 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.19 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.36 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.43 |
| P21/c (No. 14) | Monoclinic | — | — | — | 3.40 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.25 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.89 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.84 |
Uses
Applications
Where SrP2 is used.
Materials science researchPrecursor for semiconductor synthesis
Reference
Frequently Asked Questions
Common questions about SrP2, answered from cross-validated data.
What is SrP2?
Strontium diphosphide is a binary inorganic compound composed of strontium and phosphorus. It is primarily utilized as a precursor material in solid-state chemistry research for the synthesis of advanced phosphide-based materials.
More questions
What is SrP2 used for?
SrP2 is used in materials science research and precursor for semiconductor synthesis.
What is the band gap of SrP2?
SrP2 has a DFT-computed band gap of 0.80 eV across 53 reported structures.
Is SrP2 a metal, semiconductor, or insulator?
With a band gap up to 0.80 eV it is a semiconductor.
Is SrP2 thermodynamically stable?
Yes — SrP2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SrP2?
The lowest-energy reported polymorph of SrP2 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of SrP2?
The computed density of the ground-state structure of SrP2 is 3.38 g/cm³.
How many polymorphs of SrP2 are known?
53 structures of SrP2 are reported across 3 databases, spanning 13 distinct space groups.
What elements does SrP2 contain?
SrP2 contains P and Sr (2 elements).
Where does the data for SrP2 come from?
SrP2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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