RbCr5S8
Rubidium chromium sulfide is a ternary chalcogenide material characterized by its unique structural arrangement of chromium and sulfur atoms. It is primarily studied in solid-state chemistry for its magnetic properties and potential as a low-dimensional electronic material.
CrRbS
Overview
Key Properties
Cross-validated computational properties for RbCr5S8, 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.
0.28–0.35 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.
7
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for RbCr5S8, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.28 | 0.0000 | -6.972 | 3.75 |
| Cm (No. 8) | monoclinic | 0.35 | 0.0369 | -6.935 | 3.84 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.84 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.71 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.71 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Uses
Applications
Where RbCr5S8 is used.
Solid-state physics researchMagnetic material studiesMaterials science exploration
Reference
Frequently Asked Questions
Common questions about RbCr5S8, answered from cross-validated data.
What is RbCr5S8?
Rubidium chromium sulfide is a ternary chalcogenide material characterized by its unique structural arrangement of chromium and sulfur atoms. It is primarily studied in solid-state chemistry for its magnetic properties and potential as a low-dimensional electronic material.
What is RbCr5S8 used for?
RbCr5S8 is used in solid-state physics research, magnetic material studies, and materials science exploration.
What is the band gap of RbCr5S8?
RbCr5S8 has a DFT-computed band gap of 0.28–0.35 eV across 7 reported structures.
Is RbCr5S8 a metal, semiconductor, or insulator?
With a band gap up to 0.35 eV it is a semiconductor.
Is RbCr5S8 thermodynamically stable?
Yes — RbCr5S8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of RbCr5S8?
The lowest-energy reported polymorph of RbCr5S8 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of RbCr5S8?
The computed density of the ground-state structure of RbCr5S8 is 3.75 g/cm³.
How many polymorphs of RbCr5S8 are known?
7 structures of RbCr5S8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does RbCr5S8 contain?
RbCr5S8 contains Cr, Rb, and S (3 elements).
Where does the data for RbCr5S8 come from?
RbCr5S8 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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