Mo1Se2Zn1
Mo1Se2Zn1 is a semiconducting ternary compound of molybdenum, selenium, and zinc that is currently identified as a thermodynamically unstable phase.
About Mo1Se2Zn1
Mo1Se2Zn1 is a complex ternary compound composed of molybdenum, selenium, and zinc. As a semiconducting material, it represents a unique combination of elements that researchers study to understand phase formation and potential electronic behavior in multi-component systems.
Because this compound sits above the thermodynamic hull, it is considered likely unstable under standard conditions. Its existence in structural databases highlights the ongoing scientific interest in mapping the vast landscape of transition metal chalcogenides and their synthetic pathways.
Key Properties
Cross-validated computational properties for Mo1Se2Zn1, 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 Mo1Se2Zn1, 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 | 0.17 | 0.1652 | -6.021 | 5.46 |
| P4mm (No. 99) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
Applications
Where Mo1Se2Zn1 is used.
Frequently Asked Questions
Common questions about Mo1Se2Zn1, answered from cross-validated data.
What is Mo1Se2Zn1?
Mo1Se2Zn1 is a semiconducting ternary compound of molybdenum, selenium, and zinc that is currently identified as a thermodynamically unstable phase.
What is Mo1Se2Zn1 used for?
What is the band gap of Mo1Se2Zn1?
Is Mo1Se2Zn1 a metal, semiconductor, or insulator?
Is Mo1Se2Zn1 thermodynamically stable?
What is the crystal structure of Mo1Se2Zn1?
What is the density of Mo1Se2Zn1?
How many polymorphs of Mo1Se2Zn1 are known?
What elements does Mo1Se2Zn1 contain?
Where does the data for Mo1Se2Zn1 come from?
How It Compares
As a ternary phase with no direct structural siblings currently categorized in this specific class, Mo1Se2Zn1 serves as an exploratory entry in the study of molybdenum-based chalcogenides. It stands as a specialized case that helps researchers delineate the boundaries of stability for complex metal-selenium frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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