Te3MoWS
Te3MoWS is a metastable, semimetallic quaternary compound consisting of molybdenum, tungsten, sulfur, and tellurium.
About Te3MoWS
Te3MoWS is a complex quaternary compound composed of molybdenum, tungsten, sulfur, and tellurium. As a metastable material, it represents a synthetic challenge, reflecting the intricate interplay of its constituent chalcogens and transition metals.
Its electronic character is defined as near-zero-gap, placing it in the semimetallic regime. This electronic profile makes it a subject of interest for fundamental studies into how structural variations in quaternary systems influence charge carrier behavior.
Key Properties
Cross-validated computational properties for Te3MoWS, aggregated across 2 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.
Reported Structures
Lowest-energy structures reported for Te3MoWS, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 0.01 | 0.0696 | -27.288 | 5.69 |
| P3m1 (No. 156) | trigonal | 0.03 | 0.0699 | -27.288 | 5.67 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.0699 | -27.288 | 5.69 |
| P3m1 (No. 156) | trigonal | 0.01 | 0.0700 | -27.288 | 5.68 |
| P3m1 (No. 156) | trigonal | 0.01 | 0.0700 | -27.288 | 5.68 |
| P3m1 (No. 156) | trigonal | 0.03 | 0.1031 | -27.255 | 5.67 |
| P3m1 (No. 156) | trigonal | 0.02 | 0.1032 | -27.255 | 5.66 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.1037 | -27.254 | 5.66 |
| P3m1 (No. 156) | trigonal | 0.01 | 0.1039 | -27.254 | 5.67 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.1040 | -27.254 | 5.67 |
| P3m1 (No. 156) | trigonal | 0.06 | 0.1154 | -27.243 | 5.97 |
| P3m1 (No. 156) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Te3MoWS, answered from cross-validated data.
What is Te3MoWS?
Te3MoWS is a metastable, semimetallic quaternary compound consisting of molybdenum, tungsten, sulfur, and tellurium.
What is the band gap of Te3MoWS?
Is Te3MoWS a metal, semiconductor, or insulator?
Is Te3MoWS thermodynamically stable?
What is the crystal structure of Te3MoWS?
What is the density of Te3MoWS?
How many polymorphs of Te3MoWS are known?
What elements does Te3MoWS contain?
Where does the data for Te3MoWS come from?
How It Compares
As a quaternary chalcogenide, Te3MoWS occupies a specialized niche within materials science. Unlike simpler binary or ternary systems, its composition allows for a broader range of structural configurations, though its metastable nature highlights the delicate balance required to stabilize such complex atomic arrangements.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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