MnP4
MnP4 is a stable semiconducting compound composed of manganese and phosphorus that exhibits a wide range of structural variations.
About MnP4
MnP4 is a distinct manganese phosphide compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of manganese and phosphorus atoms that maintains structural integrity under standard conditions.
This material is notable for its significant structural diversity, with numerous reported configurations across various databases. Its stability and semiconducting behavior make it a subject of interest for researchers investigating the fundamental properties of transition metal phosphides and their potential integration into advanced electronic systems.
Key Properties
Cross-validated computational properties for MnP4, 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 MnP4. 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 MnP4, 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. |
|---|---|---|---|---|---|
| — | — | 0.57 | 0.0000 | -0.561 | — |
| P-1 (No. 2) | triclinic | 0.48 | 0.0000 | -0.366 | — |
| P-1 (No. 2) | triclinic | 0.48 | 0.0000 | -6.524 | 4.11 |
| — | — | — | 0.0004 | -0.561 | — |
| P-1 (No. 2) | triclinic | 0.44 | 0.0008 | -6.523 | 4.11 |
| Cc (No. 9) | monoclinic | 0.54 | 0.0014 | -6.523 | 4.06 |
| — | — | 0.65 | 0.0015 | -0.559 | — |
| C2/c (No. 15) | monoclinic | 0.56 | 0.0045 | -6.520 | 4.13 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0403 | -6.484 | 3.95 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0512 | -0.315 | — |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0529 | -6.471 | 3.98 |
| P-1 (No. 2) | triclinic | — | — | — | 4.06 |
Applications
Where MnP4 is used.
Frequently Asked Questions
Common questions about MnP4, answered from cross-validated data.
What is MnP4?
MnP4 is a stable semiconducting compound composed of manganese and phosphorus that exhibits a wide range of structural variations.
What is MnP4 used for?
What is the band gap of MnP4?
Is MnP4 a metal, semiconductor, or insulator?
Is MnP4 thermodynamically stable?
What is the crystal structure of MnP4?
How many polymorphs of MnP4 are known?
What elements does MnP4 contain?
Where does the data for MnP4 come from?
How It Compares
As a thermodynamically stable semiconductor, MnP4 serves as a foundational example of the structural complexity possible within the manganese-phosphorus binary system, providing a benchmark for stability and electronic behavior in this class of materials.
Data sources & attribution
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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