MoSe
MoSe is a metallic transition-metal dichalcogenide compound that exists in a metastable state.
About MoSe
MoSe is a transition-metal dichalcogenide characterized by its distinct metallic electronic behavior. Unlike many of its semiconducting counterparts in the same family, this compound exhibits a lack of a band gap, making it a subject of interest for fundamental studies in condensed matter physics. Its structural complexity is highlighted by a significant number of reported configurations across various databases.
Due to its position relative to the thermodynamic hull, MoSe is considered a metastable phase. This instability presents challenges for synthesis and practical integration, yet it remains a valuable reference point for understanding the phase space of molybdenum-based chalcogenides and the structural diversity inherent in this material class.
Key Properties
Cross-validated computational properties for MoSe, aggregated across 5 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 MoSe. 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 MoSe, 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-6m2 (No. 187) | hexagonal | 0.00 | 0.6194 | -20.135 | 8.65 |
| Cm (No. 8) | Monoclinic | — | — | — | 8.38 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.93 |
| P-1 (No. 2) | Triclinic | — | — | — | 8.09 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.06 |
| P21 (No. 4) | Monoclinic | — | — | — | 6.75 |
| P21 (No. 4) | Monoclinic | — | — | — | 5.90 |
| P21 (No. 4) | Monoclinic | — | — | — | 6.35 |
| P1 (No. 1) | Triclinic | — | — | — | 7.58 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.14 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.09 |
| Ama2 (No. 40) | Orthorhombic | — | — | — | 8.26 |
Applications
Where MoSe is used.
Frequently Asked Questions
Common questions about MoSe, answered from cross-validated data.
What is MoSe?
MoSe is a metallic transition-metal dichalcogenide compound that exists in a metastable state.
What is MoSe used for?
What is the band gap of MoSe?
Is MoSe a metal, semiconductor, or insulator?
Is MoSe thermodynamically stable?
What is the crystal structure of MoSe?
What is the density of MoSe?
How many polymorphs of MoSe are known?
What elements does MoSe contain?
Where does the data for MoSe come from?
How It Compares
Within the transition-metal dichalcogenides class.
While MoSe2 is a widely utilized semiconductor known for its stability and optoelectronic applications, MoSe distinguishes itself as a metallic phase within the same chemical family. Unlike the stable, layered MoSe2 or MoS2, MoSe is less thermodynamically favorable, positioning it as a more exotic and less conventional member of the transition-metal dichalcogenide group.
Related Compounds
Other Transition-Metal Dichalcogenides 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.
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