TeMoSe
TeMoSe is a metastable semiconducting material containing molybdenum, selenium, and tellurium.
About TeMoSe
TeMoSe is a complex ternary compound composed of molybdenum, selenium, and tellurium. As a semiconducting material, it exhibits electronic behavior that makes it a subject of interest for researchers investigating advanced optoelectronic and thin-film technologies.
This material is classified as metastable, indicating that its structural configuration exists in a state that requires specific synthesis conditions to maintain. Its existence across multiple databases reflects its significance in ongoing materials discovery efforts focused on transition metal chalcogenides.
Key Properties
Cross-validated computational properties for TeMoSe, 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 TeMoSe. 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 TeMoSe, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.50 | 0.0182 | -0.438 | — |
| — | — | 0.96 | 0.0231 | -0.452 | — |
| — | — | 1.00 | 0.0247 | -0.450 | — |
| — | — | 1.00 | 0.0248 | -0.450 | — |
| — | — | 0.80 | 0.0264 | -0.448 | — |
| P-3m1 (No. 164) | trigonal | 0.79 | 0.0279 | -22.434 | 6.89 |
| P3m1 (No. 156) | trigonal | 0.33 | 0.0281 | -22.434 | 5.02 |
| P-3m1 (No. 164) | trigonal | 0.01 | 0.0283 | -22.434 | 5.02 |
| P-3m1 (No. 164) | trigonal | 0.04 | 0.0287 | -22.434 | 5.02 |
| — | — | 0.65 | 0.0288 | -0.446 | — |
| P3m1 (No. 156) | trigonal | 0.00 | 0.0289 | -22.433 | 5.02 |
| P3m1 (No. 156) | trigonal | 0.47 | 0.0289 | -22.433 | 4.03 |
Applications
Where TeMoSe is used.
Frequently Asked Questions
Common questions about TeMoSe, answered from cross-validated data.
What is TeMoSe?
TeMoSe is a metastable semiconducting material containing molybdenum, selenium, and tellurium.
What is TeMoSe used for?
What is the band gap of TeMoSe?
Is TeMoSe a metal, semiconductor, or insulator?
Is TeMoSe thermodynamically stable?
What is the crystal structure of TeMoSe?
How many polymorphs of TeMoSe are known?
What elements does TeMoSe contain?
Where does the data for TeMoSe come from?
How It Compares
As a unique ternary phase, TeMoSe represents a specialized addition to the broader family of transition metal chalcogenides, offering a distinct elemental combination that differentiates it from binary molybdenum selenides or tellurides.
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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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