ReSTe
ReSTe is a thermodynamically stable semimetallic compound composed of rhenium, sulfur, and tellurium.
About ReSTe
ReSTe is a complex ternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its electronic character is defined as a near-zero-gap semimetal, placing it in a unique position between traditional metallic conductors and semiconducting materials.
This compound is of significant interest in materials science due to its structural stability and electronic behavior. It serves as a subject for fundamental research into the properties of rhenium-based chalcogenides, which are often explored for their potential in advanced electronic and optoelectronic device architectures.
Key Properties
Cross-validated computational properties for ReSTe, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of ReSTe. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for ReSTe, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.08 | 0.0000 | -7.260 | 8.80 |
| P4/nmm (No. 129) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.57 |
Applications
Where ReSTe is used.
Frequently Asked Questions
Common questions about ReSTe, answered from cross-validated data.
What is ReSTe?
ReSTe is a thermodynamically stable semimetallic compound composed of rhenium, sulfur, and tellurium.
What is ReSTe used for?
What is the band gap of ReSTe?
Is ReSTe a metal, semiconductor, or insulator?
Is ReSTe thermodynamically stable?
What is the crystal structure of ReSTe?
What is the density of ReSTe?
How many polymorphs of ReSTe are known?
What elements does ReSTe contain?
Where does the data for ReSTe come from?
How It Compares
As a ternary rhenium chalcogenide, ReSTe represents a specialized material system that occupies a distinct niche within the broader landscape of semimetallic compounds. Unlike simpler binary chalcogenides, its multi-element composition allows for complex structural arrangements that contribute to its inherent stability.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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