Cu4K4O16P4
Cu4K4O16P4 is a thermodynamically stable, semiconducting copper-potassium phosphate used in fundamental materials research.
About Cu4K4O16P4
Cu4K4O16P4 is a semiconducting transition-metal phosphate that occupies a stable position on the thermodynamic convex hull. Its structural integrity and electronic properties make it a subject of interest for researchers investigating complex phosphate frameworks.
As a member of the diverse transition-metal phosphate family, this compound contributes to the understanding of how copper-based polyanionic structures behave under various conditions. Its existence across multiple structural databases highlights its significance in fundamental materials science research.
Key Properties
Cross-validated computational properties for Cu4K4O16P4, 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.
Reported Structures
Lowest-energy structures reported for Cu4K4O16P4, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 0.13 | 0.0000 | -6.550 | 3.12 |
| P21 (No. 4) | monoclinic | 0.17 | 0.0201 | -6.530 | 3.24 |
| P21 (No. 4) | — | — | — | — | — |
| — | — | — | — | — | 3.18 |
| — | — | — | — | — | 3.14 |
Applications
Where Cu4K4O16P4 is used.
Frequently Asked Questions
Common questions about Cu4K4O16P4, answered from cross-validated data.
What is Cu4K4O16P4?
Cu4K4O16P4 is a thermodynamically stable, semiconducting copper-potassium phosphate used in fundamental materials research.
What is Cu4K4O16P4 used for?
What is the band gap of Cu4K4O16P4?
Is Cu4K4O16P4 a metal, semiconductor, or insulator?
Is Cu4K4O16P4 thermodynamically stable?
What is the crystal structure of Cu4K4O16P4?
What is the density of Cu4K4O16P4?
How many polymorphs of Cu4K4O16P4 are known?
What elements does Cu4K4O16P4 contain?
Where does the data for Cu4K4O16P4 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the widely utilized olivine-structured battery materials such as LiFePO4 or LiMnPO4, which are primarily studied for their electrochemical intercalation properties, Cu4K4O16P4 represents a more complex structural variant within the broader transition-metal phosphate class. While siblings like TiP2O7 or LiFeP2O7 often serve as models for ion-conducting frameworks, this copper-potassium phosphate offers a distinct coordination environment that differentiates it from the simpler binary or ternary phosphate systems.
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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