Rb8Se60Th28
Rb8Se60Th28 is a thermodynamically stable, semiconducting ternary compound containing rubidium, selenium, and thorium.
About Rb8Se60Th28
Rb8Se60Th28 is a complex ternary compound composed of rubidium, selenium, and thorium. As a thermodynamically stable material located on the convex hull, it represents a robust structural configuration within its chemical system. Its electronic character as a semiconductor suggests potential utility in specialized electronic or optoelectronic applications where specific charge transport properties are required. The material is characterized by a notable degree of structural diversity, supported by multiple reported entries across various crystallographic databases. This richness in structural data highlights its importance as a subject of study for understanding complex chalcogenide frameworks and their stability. By balancing the electropositive nature of the alkali metal with the heavy actinide and the chalcogen, this compound provides a unique platform for investigating structural complexity in solid-state chemistry.
Key Properties
Cross-validated computational properties for Rb8Se60Th28, 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 Rb8Se60Th28, 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 | 1.34 | 0.0000 | -6.428 | 7.29 |
| No. 0 | unknown | — | — | — | 1.90 |
| — | — | — | — | — | 5.83 |
| P21/c (No. 14) | — | — | — | — | — |
Applications
Where Rb8Se60Th28 is used.
Frequently Asked Questions
Common questions about Rb8Se60Th28, answered from cross-validated data.
What is Rb8Se60Th28?
Rb8Se60Th28 is a thermodynamically stable, semiconducting ternary compound containing rubidium, selenium, and thorium.
What is Rb8Se60Th28 used for?
What is the band gap of Rb8Se60Th28?
Is Rb8Se60Th28 a metal, semiconductor, or insulator?
Is Rb8Se60Th28 thermodynamically stable?
What is the crystal structure of Rb8Se60Th28?
What is the density of Rb8Se60Th28?
How many polymorphs of Rb8Se60Th28 are known?
What elements does Rb8Se60Th28 contain?
Where does the data for Rb8Se60Th28 come from?
How It Compares
As a distinct ternary phase, Rb8Se60Th28 occupies a unique position in materials space, serving as a stable reference point for complex thorium-based chalcogenides. Without direct structural siblings in this specific class, it stands as a primary example of how heavy actinide elements can be integrated into stable, semiconducting crystalline networks.
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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