H16O8P4Rb8Se12
H16O8P4Rb8Se12 is a thermodynamically stable, semiconducting inorganic compound composed of hydrogen, oxygen, phosphorus, rubidium, and selenium.
About H16O8P4Rb8Se12
H16O8P4Rb8Se12 is a complex inorganic compound characterized by its semiconducting electronic nature. As a material that resides on the convex hull, it exhibits notable thermodynamic stability, making it a subject of interest for structural research and material characterization studies. Its unique composition of hydrogen, oxygen, phosphorus, rubidium, and selenium suggests a specialized role in solid-state chemistry.
Given its status as a stable semiconducting phase, this compound serves as a valuable case study for understanding complex lattice arrangements in multi-element systems. Researchers utilize its structural data to explore how such intricate chemical combinations influence electronic behavior and stability in the solid state.
Key Properties
Cross-validated computational properties for H16O8P4Rb8Se12, 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 H16O8P4Rb8Se12, 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. |
|---|---|---|---|---|---|
| Pnnm (No. 58) | orthorhombic | 1.39 | 0.0000 | -4.583 | 3.24 |
| — | — | — | — | — | 3.23 |
| Pnnm (No. 58) | — | — | — | — | — |
Applications
Where H16O8P4Rb8Se12 is used.
Frequently Asked Questions
Common questions about H16O8P4Rb8Se12, answered from cross-validated data.
What is H16O8P4Rb8Se12?
H16O8P4Rb8Se12 is a thermodynamically stable, semiconducting inorganic compound composed of hydrogen, oxygen, phosphorus, rubidium, and selenium.
What is H16O8P4Rb8Se12 used for?
What is the band gap of H16O8P4Rb8Se12?
Is H16O8P4Rb8Se12 a metal, semiconductor, or insulator?
Is H16O8P4Rb8Se12 thermodynamically stable?
What is the crystal structure of H16O8P4Rb8Se12?
What is the density of H16O8P4Rb8Se12?
How many polymorphs of H16O8P4Rb8Se12 are known?
What elements does H16O8P4Rb8Se12 contain?
Where does the data for H16O8P4Rb8Se12 come from?
How It Compares
As a unique multi-element phase, this compound represents a distinct structural configuration within the landscape of complex inorganic solids. It serves as a benchmark for stability in its chemical family, providing a reference point for investigating how the interplay of its constituent elements dictates its semiconducting properties compared to simpler binary or ternary 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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