Mg4O16P4Rb4
Mg4O16P4Rb4 is a stable, insulating phosphate compound utilized in materials research for its robust structural properties.
About Mg4O16P4Rb4
Mg4O16P4Rb4 is a complex phosphate-based inorganic compound characterized by its wide-gap insulating electronic structure. Its position on the thermodynamic convex hull indicates high stability, making it a robust candidate for structural and chemical investigations in solid-state science.
This material is of significant interest to researchers studying complex oxide frameworks. Its stability and insulating nature suggest potential utility in specialized dielectric applications or as a precursor in the development of advanced ceramic materials.
Key Properties
Cross-validated computational properties for Mg4O16P4Rb4, 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 Mg4O16P4Rb4, 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. |
|---|---|---|---|---|---|
| Pna21 (No. 33) | orthorhombic | 4.64 | 0.0000 | -6.879 | 3.13 |
| Pna21 (No. 33) | orthorhombic | 4.75 | 0.0050 | -6.874 | 3.09 |
| Pnma (No. 62) | orthorhombic | 4.07 | 0.0101 | -6.869 | 2.78 |
| — | — | — | — | — | 2.67 |
| Pnma (No. 62) | — | — | — | — | — |
| Pna21 (No. 33) | — | — | — | — | — |
Applications
Where Mg4O16P4Rb4 is used.
Frequently Asked Questions
Common questions about Mg4O16P4Rb4, answered from cross-validated data.
What is Mg4O16P4Rb4?
Mg4O16P4Rb4 is a stable, insulating phosphate compound utilized in materials research for its robust structural properties.
What is Mg4O16P4Rb4 used for?
What is the band gap of Mg4O16P4Rb4?
Is Mg4O16P4Rb4 a metal, semiconductor, or insulator?
Is Mg4O16P4Rb4 thermodynamically stable?
What is the crystal structure of Mg4O16P4Rb4?
What is the density of Mg4O16P4Rb4?
How many polymorphs of Mg4O16P4Rb4 are known?
What elements does Mg4O16P4Rb4 contain?
Where does the data for Mg4O16P4Rb4 come from?
How It Compares
As a thermodynamically stable member of its chemical family, this compound serves as a reliable reference point for structural studies within its class. Its documented presence across multiple databases highlights its importance as a stable phase for researchers seeking predictable performance in insulating phosphate systems.
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).
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