KP
KP is a thermodynamically stable semiconducting binary phosphide compound.
About KP
KP is a binary phosphide that exists as a thermodynamically stable phase, sitting securely on the convex hull. Its semiconducting electronic character makes it an intriguing candidate for specialized electronic applications where stable, phosphorus-based materials are required.
With a significant number of reported structures across multiple databases, this compound is a well-documented subject for researchers investigating the phase space of alkali metal phosphides. Its stability suggests potential for synthesis and integration into functional material systems.
Key Properties
Cross-validated computational properties for KP, aggregated across 6 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of KP. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
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. |
|---|---|---|---|---|---|
| — | — | 1.17 | 0.0000 | -0.545 | — |
| P212121 (No. 19) | orthorhombic | 1.13 | 0.0000 | -0.528 | — |
| P212121 (No. 19) | orthorhombic | 1.03 | 0.0000 | -8.047 | 2.08 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.4077 | -0.120 | — |
| Pmmm (No. 47) | orthorhombic | 0.00 | 0.4732 | -0.055 | — |
| — | — | 0.00 | 0.5875 | 0.043 | — |
| — | — | 0.00 | 0.5939 | 0.049 | — |
| — | — | 0.00 | 0.8052 | 0.261 | — |
| — | — | 0.00 | 0.8058 | 0.261 | — |
| — | — | 0.00 | 0.8168 | 0.272 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.8195 | 0.291 | — |
| R-3m (No. 166) | trigonal | 0.00 | 0.9692 | 0.441 | — |
Applications
Where KP is used.
Frequently Asked Questions
Common questions about KP, answered from cross-validated data.
What is KP?
KP is a thermodynamically stable semiconducting binary phosphide compound.
What is KP used for?
What is the band gap of KP?
Is KP a metal, semiconductor, or insulator?
Is KP thermodynamically stable?
What is the crystal structure of KP?
How many polymorphs of KP are known?
What elements does KP contain?
Where does the data for KP come from?
How It Compares
As a standalone binary phosphide in this context, KP represents a fundamental building block for understanding alkali-phosphorus interactions. Its thermodynamic stability distinguishes it as a robust reference point for exploring the broader landscape of semiconducting pnictides.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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