MnSe
manganese selenide · manganese(II) selenide
Manganese selenide is a stable, semimetallic compound formed from manganese and selenium that is widely studied for its diverse structural phases.
About manganese selenide
Manganese selenide is a thermodynamically stable binary compound composed of manganese and selenium. Its electronic character is defined as near-zero-gap, placing it in the semimetallic regime, which makes it a subject of significant interest for fundamental condensed matter research.
With a high degree of structural diversity reported across multiple databases, this material serves as a versatile platform for studying phase behavior. Its stability on the convex hull suggests it is a robust candidate for experimental synthesis and investigation in various solid-state applications.
Key Properties
Cross-validated computational properties for manganese selenide, 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 MnSe. 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 MnSe, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.00 | 0.0000 | -15.447 | 4.28 |
| F-43m (No. 216) | cubic | 0.05 | 0.0035 | -15.444 | 4.28 |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0117 | -15.436 | 5.77 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0221 | -15.425 | 5.44 |
| P4/nmm (No. 129) | tetragonal | 0.00 | 0.0237 | -15.424 | 5.45 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.98 |
| No. 0 | unknown | — | — | — | 2.25 |
| P21/c (No. 14) | Monoclinic | — | — | — | 7.85 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 5.08 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.52 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.93 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.48 |
Applications
Where manganese selenide is used.
Frequently Asked Questions
Common questions about manganese selenide, answered from cross-validated data.
What is MnSe?
Manganese selenide is a stable, semimetallic compound formed from manganese and selenium that is widely studied for its diverse structural phases.
What is MnSe used for?
What is the band gap of MnSe?
Is MnSe a metal, semiconductor, or insulator?
Is MnSe thermodynamically stable?
What is the crystal structure of MnSe?
What is the density of MnSe?
How many polymorphs of MnSe are known?
What elements does MnSe contain?
Where does the data for MnSe come from?
How It Compares
As a stable semimetallic binary compound, manganese selenide represents a fundamental building block in the study of transition metal chalcogenides. It occupies a distinct position in the landscape of manganese-based semiconductors, serving as a baseline for understanding how electronic properties evolve in these systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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