K2P3
This compound is a binary phosphide consisting of potassium and phosphorus. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of other phosphorus-based materials.
KP
Overview
Key Properties
Cross-validated computational properties for K2P3, 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.
0.71–1.05 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.
11
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for K2P3, 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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 1.03 | 0.0000 | -8.359 | 1.98 |
| Fmmm (No. 69) | orthorhombic | 0.71 | 0.0000 | -8.359 | 1.98 |
| P1 (No. 1) | triclinic | 1.05 | 0.0087 | -8.350 | 1.91 |
| Fmmm (No. 69) | — | — | — | — | — |
| Fddd (No. 70) | — | — | — | — | — |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 1.91 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 1.97 |
| Fmmm (No. 69) | Orthorhombic | — | — | — | 1.95 |
| P1 (No. 1) | Triclinic | — | — | — | 1.38 |
| C2 (No. 5) | Monoclinic | — | — | — | 1.18 |
| C2 (No. 5) | Monoclinic | — | — | — | 1.05 |
Uses
Applications
Where K2P3 is used.
Chemical researchPrecursor for material synthesis
Reference
Frequently Asked Questions
Common questions about K2P3, answered from cross-validated data.
What is K2P3?
This compound is a binary phosphide consisting of potassium and phosphorus. It is primarily utilized in specialized chemical research and as a precursor for the synthesis of other phosphorus-based materials.
More questions
What is K2P3 used for?
K2P3 is used in chemical research and precursor for material synthesis.
What is the band gap of K2P3?
K2P3 has a DFT-computed band gap of 0.71–1.05 eV across 11 reported structures.
Is K2P3 a metal, semiconductor, or insulator?
With a band gap up to 1.05 eV it is a semiconductor.
Is K2P3 thermodynamically stable?
Yes — K2P3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of K2P3?
The lowest-energy reported polymorph of K2P3 is orthorhombic symmetry, space group Fddd (No. 70).
What is the density of K2P3?
The computed density of the ground-state structure of K2P3 is 1.98 g/cm³.
How many polymorphs of K2P3 are known?
11 structures of K2P3 are reported across 3 databases, spanning 4 distinct space groups.
What elements does K2P3 contain?
K2P3 contains K and P (2 elements).
Where does the data for K2P3 come from?
K2P3 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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