KP
Potassium phosphide is a binary inorganic compound composed of potassium and phosphorus. It is primarily utilized in specialized chemical synthesis and as a precursor for the preparation of other phosphorus-containing materials.
KP
Overview
Key Properties
Cross-validated computational properties for KP, aggregated across 4 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.
1.03 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
51
4 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for KP, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 1.03 | 0.0000 | -8.047 | 2.08 |
| R-3m (No. 166) | trigonal | 0.00 | 1.0080 | -7.039 | 1.53 |
| Fm-3m (No. 225) | cubic | 0.00 | 1.0087 | -7.038 | 1.53 |
| Immm (No. 71) | orthorhombic | 0.00 | 1.0092 | -7.038 | 1.54 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.41 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.48 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.61 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.59 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.74 |
| P21/m (No. 11) | Monoclinic | — | — | — | 1.68 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.01 |
| P21/m (No. 11) | Monoclinic | — | — | — | 1.75 |
Uses
Applications
Where KP is used.
Chemical synthesisMaterials science research
Reference
Frequently Asked Questions
Common questions about KP, answered from cross-validated data.
What is KP?
Potassium phosphide is a binary inorganic compound composed of potassium and phosphorus. It is primarily utilized in specialized chemical synthesis and as a precursor for the preparation of other phosphorus-containing materials.
More questions
What is KP used for?
KP is used in chemical synthesis and materials science research.
What is the band gap of KP?
KP has a DFT-computed band gap of 1.03 eV across 51 reported structures.
Is KP a metal, semiconductor, or insulator?
With a band gap up to 1.03 eV it is a semiconductor.
Is KP thermodynamically stable?
Yes — KP sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of KP?
The lowest-energy reported polymorph of KP is orthorhombic symmetry, space group P212121 (No. 19).
What is the density of KP?
The computed density of the ground-state structure of KP is 2.08 g/cm³.
How many polymorphs of KP are known?
51 structures of KP are reported across 4 databases, spanning 17 distinct space groups.
What elements does KP contain?
KP contains K and P (2 elements).
Where does the data for KP come from?
KP data is cross-referenced from materials_project, mpaloe, jarvis.
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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