Sb2TeSe2
Sb2TeSe2 is a stable, semiconducting chalcogenide material used in the development of advanced phase-change memory devices.
About Sb2TeSe2
Sb2TeSe2 is a semiconducting material belonging to the phase-change memory family. As a thermodynamically stable compound residing on the convex hull, it exhibits robust structural integrity, making it a reliable candidate for electronic switching applications where phase stability is paramount. The material is characterized by a well-documented structural profile, supported by multiple entries across major materials databases. Its ability to transition between states allows it to function effectively in non-volatile memory architectures, where it leverages its semiconducting nature to facilitate rapid and reversible state changes. This makes it a significant subject of study for engineers developing high-density, low-power storage solutions.
Key Properties
Cross-validated computational properties for Sb2TeSe2, 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 Sb2TeSe2. 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 Sb2TeSe2, 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. |
|---|---|---|---|---|---|
| R3m (No. 160) | trigonal | 0.40 | 0.0000 | -0.236 | — |
| — | — | 0.58 | 0.0034 | -0.226 | — |
| — | — | 0.65 | 0.0344 | -0.195 | — |
| R-3m (No. 166) | trigonal | 0.30 | 0.0382 | -0.198 | — |
| R3m (No. 160) | trigonal | 0.49 | 0.0731 | -4.092 | 5.88 |
| R-3m (No. 166) | trigonal | 0.55 | 0.1098 | -4.056 | 5.73 |
| R3m (No. 160) | trigonal | — | — | — | 6.10 |
| R3m (No. 160) | trigonal | — | — | — | 5.76 |
| R3m (No. 160) | trigonal | — | — | — | 5.92 |
| R3m (No. 160) | trigonal | — | — | — | 5.85 |
| R-3m (No. 166) | trigonal | — | — | — | 5.89 |
| R-3m (No. 166) | trigonal | — | — | — | 5.73 |
Applications
Where Sb2TeSe2 is used.
Frequently Asked Questions
Common questions about Sb2TeSe2, answered from cross-validated data.
What is Sb2TeSe2?
Sb2TeSe2 is a stable, semiconducting chalcogenide material used in the development of advanced phase-change memory devices.
What is Sb2TeSe2 used for?
What is the band gap of Sb2TeSe2?
Is Sb2TeSe2 a metal, semiconductor, or insulator?
Is Sb2TeSe2 thermodynamically stable?
What is the crystal structure of Sb2TeSe2?
How many polymorphs of Sb2TeSe2 are known?
What elements does Sb2TeSe2 contain?
Where does the data for Sb2TeSe2 come from?
How It Compares
Within the phase-change memory materials class.
Within the broader class of phase-change materials, Sb2TeSe2 occupies a unique niche compared to industry standards like Ge2Sb2Te5 or Sb2Te3. While many of its siblings are optimized for specific switching speeds or thermal thresholds, Sb2TeSe2 offers a distinct combination of stability and electronic properties that allows for tailored performance in memory devices. It serves as a sophisticated alternative to simpler binary systems like AgTe or GeTe, providing a more complex chalcogenide framework that can be fine-tuned for specific device requirements.
Related Compounds
Other Phase-Change Memory Materials in the database.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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