Cs4O16P4Zn4
This compound is a complex inorganic phosphate containing cesium and zinc. It is primarily utilized in materials science research for the study of crystal structures and the development of specialized optical or electronic materials.
Key Properties
Cross-validated computational properties for Cs4O16P4Zn4, 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 Cs4O16P4Zn4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.97 | 0.0000 | -6.418 | 4.23 |
| Pna21 (No. 33) | orthorhombic | 3.96 | 0.0019 | -6.416 | 4.19 |
| Pnma (No. 62) | orthorhombic | 3.89 | 0.0141 | -6.404 | 3.88 |
| Pnma (No. 62) | — | — | — | — | — |
| Pna21 (No. 33) | — | — | — | — | — |
| — | — | — | — | — | 3.96 |
Applications
Where Cs4O16P4Zn4 is used.
Frequently Asked Questions
Common questions about Cs4O16P4Zn4, answered from cross-validated data.
What is Cs4O16P4Zn4?
This compound is a complex inorganic phosphate containing cesium and zinc. It is primarily utilized in materials science research for the study of crystal structures and the development of specialized optical or electronic materials.
What is Cs4O16P4Zn4 used for?
What is the band gap of Cs4O16P4Zn4?
Is Cs4O16P4Zn4 a metal, semiconductor, or insulator?
Is Cs4O16P4Zn4 thermodynamically stable?
What is the crystal structure of Cs4O16P4Zn4?
What is the density of Cs4O16P4Zn4?
How many polymorphs of Cs4O16P4Zn4 are known?
What elements does Cs4O16P4Zn4 contain?
Where does the data for Cs4O16P4Zn4 come from?
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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