Cs4Mg4O16P4
This compound is a complex phosphate containing cesium and magnesium. It is primarily studied in materials science for its structural properties and potential roles in solid-state chemistry research.
CsMgOP
Overview
Key Properties
Cross-validated computational properties for Cs4Mg4O16P4, 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.
4.42 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
4 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cs4Mg4O16P4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 4.42 | 0.0000 | -6.870 | 3.34 |
| — | — | — | — | — | 3.13 |
| Pnma (No. 62) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.89 |
Uses
Applications
Where Cs4Mg4O16P4 is used.
Solid-state chemistry researchMaterials science investigations
Reference
Frequently Asked Questions
Common questions about Cs4Mg4O16P4, answered from cross-validated data.
What is Cs4Mg4O16P4?
This compound is a complex phosphate containing cesium and magnesium. It is primarily studied in materials science for its structural properties and potential roles in solid-state chemistry research.
What is Cs4Mg4O16P4 used for?
Cs4Mg4O16P4 is used in solid-state chemistry research and materials science investigations.
What is the band gap of Cs4Mg4O16P4?
Cs4Mg4O16P4 has a DFT-computed band gap of 4.42 eV across 4 reported structures.
Is Cs4Mg4O16P4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.42 eV it is an insulator / wide-band-gap material.
Is Cs4Mg4O16P4 thermodynamically stable?
Yes — Cs4Mg4O16P4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cs4Mg4O16P4?
The lowest-energy reported polymorph of Cs4Mg4O16P4 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Cs4Mg4O16P4?
The computed density of the ground-state structure of Cs4Mg4O16P4 is 3.34 g/cm³.
How many polymorphs of Cs4Mg4O16P4 are known?
4 structures of Cs4Mg4O16P4 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Cs4Mg4O16P4 contain?
Cs4Mg4O16P4 contains Cs, Mg, O, and P (4 elements).
Where does the data for Cs4Mg4O16P4 come from?
Cs4Mg4O16P4 data is cross-referenced from materials_project, omat24, aflow, cod.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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