KPZn
KPZn is a thermodynamically stable semiconducting ternary compound consisting of potassium, phosphorus, and zinc.
About KPZn
KPZn is a ternary compound composed of potassium, phosphorus, and zinc. It maintains a thermodynamically stable state on the convex hull, indicating a robust atomic arrangement that is favorable for synthesis and long-term structural integrity. As a semiconducting material, it possesses electronic properties that make it a subject of interest for fundamental solid-state research. Its ability to form multiple distinct structural phases highlights the complex bonding interactions between the alkali metal, pnictogen, and transition metal components. This versatility suggests potential utility in specialized electronic or optoelectronic applications where specific structural configurations are required to tune charge carrier behavior.
Key Properties
Cross-validated computational properties for KPZn, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of KPZn. 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 KPZn, 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/mmc (No. 194) | hexagonal | 0.84 | 0.0000 | -8.553 | 3.10 |
| No. 0 | unknown | — | — | — | 1.53 |
| — | — | — | — | — | — |
| — | — | — | — | — | — |
Applications
Where KPZn is used.
Frequently Asked Questions
Common questions about KPZn, answered from cross-validated data.
What is KPZn?
KPZn is a thermodynamically stable semiconducting ternary compound consisting of potassium, phosphorus, and zinc.
What is KPZn used for?
What is the band gap of KPZn?
Is KPZn a metal, semiconductor, or insulator?
Is KPZn thermodynamically stable?
What is the crystal structure of KPZn?
What is the density of KPZn?
How many polymorphs of KPZn are known?
What elements does KPZn contain?
Where does the data for KPZn come from?
How It Compares
As a unique ternary phase, KPZn represents a specialized entry in materials research, serving as a distinct example of how potassium, phosphorus, and zinc can stabilize into a semiconducting framework without the need for more common binary or quaternary counterparts.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- alexandria — Data from alexandria.
Analyze KPZn in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →