P6Rb6Se18
P6Rb6Se18 is a thermodynamically stable semiconducting compound composed of phosphorus, rubidium, and selenium.
About P6Rb6Se18
P6Rb6Se18 is a complex ternary chalcogenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement within its chemical system.
This material is of interest to researchers investigating the structural diversity of phosphorus-rubidium-selenium compounds. Its stability and electronic profile make it a subject of study for those mapping the fundamental properties of complex semiconductor architectures.
Key Properties
Cross-validated computational properties for P6Rb6Se18, 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.
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 P6Rb6Se18, 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. |
|---|---|---|---|---|---|
| P3121 (No. 152) | trigonal | 1.12 | 0.0000 | -4.182 | 3.76 |
| No. 0 | unknown | — | — | — | 0.67 |
| — | — | — | — | — | 3.53 |
| P3121 (No. 152) | — | — | — | — | — |
Frequently Asked Questions
Common questions about P6Rb6Se18, answered from cross-validated data.
What is P6Rb6Se18?
P6Rb6Se18 is a thermodynamically stable semiconducting compound composed of phosphorus, rubidium, and selenium.
What is the band gap of P6Rb6Se18?
Is P6Rb6Se18 a metal, semiconductor, or insulator?
Is P6Rb6Se18 thermodynamically stable?
What is the crystal structure of P6Rb6Se18?
What is the density of P6Rb6Se18?
How many polymorphs of P6Rb6Se18 are known?
What elements does P6Rb6Se18 contain?
Where does the data for P6Rb6Se18 come from?
How It Compares
As a unique ternary compound, P6Rb6Se18 serves as a distinct point of reference within its chemical family, representing a stable structural configuration that highlights the diverse bonding possibilities between phosphorus, rubidium, and selenium.
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).
- 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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