MnP
manganese phosphide
Manganese phosphide is a thermodynamically stable metallic compound characterized by its structural diversity and fundamental role in materials research.
About manganese phosphide
Manganese phosphide is a metallic compound formed from manganese and phosphorus. It is recognized for its robust thermodynamic stability, sitting directly on the convex hull, which indicates a highly favorable energetic state under standard conditions.
Due to its metallic nature and structural versatility, this compound has been the subject of extensive research, with numerous reported structures across various scientific databases. Its stability and electronic characteristics make it a significant subject for study in materials science and solid-state physics.
Key Properties
Cross-validated computational properties for manganese phosphide, aggregated across 6 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 MnP. 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 MnP, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -7.904 | 5.94 |
| — | — | 0.00 | 0.0000 | -0.742 | — |
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -0.564 | — |
| — | — | 0.00 | 0.1332 | -0.609 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1334 | -0.431 | — |
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.1576 | -7.746 | 5.50 |
| — | — | 0.00 | 0.1955 | -0.547 | — |
| — | — | 0.00 | 0.2855 | -0.457 | — |
| — | — | 0.00 | 0.2856 | -0.457 | — |
| — | — | 0.00 | 0.3002 | -0.442 | — |
| — | — | 0.00 | 0.3937 | -0.348 | — |
| — | — | 0.00 | 0.4061 | -0.336 | — |
Applications
Where manganese phosphide is used.
Frequently Asked Questions
Common questions about manganese phosphide, answered from cross-validated data.
What is MnP?
Manganese phosphide is a thermodynamically stable metallic compound characterized by its structural diversity and fundamental role in materials research.
What is MnP used for?
What is the band gap of MnP?
Is MnP a metal, semiconductor, or insulator?
Is MnP thermodynamically stable?
What is the crystal structure of MnP?
What is the density of MnP?
How many polymorphs of MnP are known?
What elements does MnP contain?
Where does the data for MnP come from?
How It Compares
As a standalone representative of manganese-based phosphides, MnP serves as a fundamental reference point for understanding the structural and electronic behavior of transition metal pnictides.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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