Sb2Te2Se
Antimony telluride selenide
This compound is a crystalline chalcogenide material characterized by its layered structure. It is primarily utilized in advanced materials research for its potential in electronic and thermoelectric technologies.
Overview
Key Properties
Cross-validated computational properties for Sb2Te2Se, 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.
0.13–0.48 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.
10
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Sb2Te2Se, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.13 | 0.0000 | -4.062 | 6.01 |
| R3m (No. 160) | trigonal | 0.48 | 0.0321 | -4.030 | 5.95 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.92 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.06 |
| R-3m (No. 166) | — | — | — | — | — |
| R3m (No. 160) | Trigonal | — | — | — | 5.95 |
| R-3m (No. 166) | Trigonal | — | — | — | 6.01 |
| R3m (No. 160) | — | — | — | — | — |
| R3m (No. 160) | Trigonal | — | — | — | 6.17 |
| R3m (No. 160) | Trigonal | — | — | — | 6.08 |
Uses
Applications
Where Sb2Te2Se is used.
Thermoelectric devicesPhase-change memory researchTopological insulator studiesOptoelectronic components
Reference
Frequently Asked Questions
Common questions about Sb2Te2Se, answered from cross-validated data.
What is Sb2Te2Se?
This compound is a crystalline chalcogenide material characterized by its layered structure. It is primarily utilized in advanced materials research for its potential in electronic and thermoelectric technologies.
More questions
What is Sb2Te2Se used for?
Sb2Te2Se is used in thermoelectric devices, phase-change memory research, topological insulator studies, and optoelectronic components.
What is the band gap of Sb2Te2Se?
Sb2Te2Se has a DFT-computed band gap of 0.13–0.48 eV across 10 reported structures.
Is Sb2Te2Se a metal, semiconductor, or insulator?
With a band gap up to 0.48 eV it is a semiconductor.
Is Sb2Te2Se thermodynamically stable?
Yes — Sb2Te2Se sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Sb2Te2Se?
The lowest-energy reported polymorph of Sb2Te2Se is trigonal symmetry, space group R-3m (No. 166).
What is the density of Sb2Te2Se?
The computed density of the ground-state structure of Sb2Te2Se is 6.01 g/cm³.
How many polymorphs of Sb2Te2Se are known?
10 structures of Sb2Te2Se are reported across 3 databases, spanning 2 distinct space groups.
What elements does Sb2Te2Se contain?
Sb2Te2Se contains Sb, Se, and Te (3 elements).
Where does the data for Sb2Te2Se come from?
Sb2Te2Se data is cross-referenced from materials_project, mpaloe, jarvis.
Explore
Related Compounds
Other Phase-Change Memory Materials in the database.
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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