RuSeS
This inorganic compound is a ruthenium-based chalcogenide containing both sulfur and selenium. It is primarily studied by researchers for its potential electronic and structural properties in the field of materials science.
RuSSe
Overview
Key Properties
Cross-validated computational properties for RuSeS, 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.
0.57 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.
0.017 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 4 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for RuSeS, 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. |
|---|---|---|---|---|---|
| P213 (No. 198) | cubic | 0.57 | 0.0174 | -16.511 | 7.09 |
| P2/c (No. 13) | Monoclinic | — | — | — | 5.74 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.02 |
| Cmme (No. 67) | Orthorhombic | — | — | — | 5.39 |
| P213 (No. 198) | — | — | — | — | — |
Uses
Applications
Where RuSeS is used.
Materials science researchSolid-state chemistry studiesSemiconductor development research
Reference
Frequently Asked Questions
Common questions about RuSeS, answered from cross-validated data.
What is RuSeS?
This inorganic compound is a ruthenium-based chalcogenide containing both sulfur and selenium. It is primarily studied by researchers for its potential electronic and structural properties in the field of materials science.
More questions
What is RuSeS used for?
RuSeS is used in materials science research, solid-state chemistry studies, and semiconductor development research.
What is the band gap of RuSeS?
RuSeS has a DFT-computed band gap of 0.57 eV across 5 reported structures.
Is RuSeS a metal, semiconductor, or insulator?
With a band gap up to 0.57 eV it is a semiconductor.
Is RuSeS thermodynamically stable?
RuSeS has a lowest energy above hull of 0.017 eV/atom (near hull (likely stable)).
What is the crystal structure of RuSeS?
The lowest-energy reported polymorph of RuSeS is cubic symmetry, space group P213 (No. 198).
What is the density of RuSeS?
The computed density of the ground-state structure of RuSeS is 7.09 g/cm³.
How many polymorphs of RuSeS are known?
5 structures of RuSeS are reported across 3 databases, spanning 4 distinct space groups.
What elements does RuSeS contain?
RuSeS contains Ru, S, and Se (3 elements).
Where does the data for RuSeS come from?
RuSeS 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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