Mn3P
Mn3P is a metastable metallic compound consisting of manganese and phosphorus that is primarily studied for its structural properties in materials science.
About Mn3P
Mn3P is a metallic phosphide compound composed of manganese and phosphorus. As a metastable material, it represents a unique phase within the binary manganese-phosphorus system, offering distinct structural arrangements that have been documented across multiple databases. Its metallic nature suggests potential utility in electronic or magnetic applications where conductive behavior is required. The compound is primarily of interest in fundamental materials science, where researchers investigate its formation pathways and stability limits to better understand the phase space of transition metal phosphides. Its existence as a metastable phase makes it a compelling subject for studies on phase transformation and synthesis control.
Key Properties
Cross-validated computational properties for Mn3P, 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 Mn3P. 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 Mn3P, 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. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 0.00 | 0.0265 | -8.584 | 6.27 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.90 |
| I-4 (No. 82) | Tetragonal | — | — | — | 6.14 |
| I-4 (No. 82) | Tetragonal | — | — | — | 7.31 |
| P1 (No. 1) | Triclinic | — | — | — | 4.93 |
| I-4 (No. 82) | Tetragonal | — | — | — | 6.10 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.88 |
| Pm (No. 6) | Monoclinic | — | — | — | 4.11 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 3.88 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.47 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.61 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.68 |
Applications
Where Mn3P is used.
Frequently Asked Questions
Common questions about Mn3P, answered from cross-validated data.
What is Mn3P?
Mn3P is a metastable metallic compound consisting of manganese and phosphorus that is primarily studied for its structural properties in materials science.
What is Mn3P used for?
What is the band gap of Mn3P?
Is Mn3P a metal, semiconductor, or insulator?
Is Mn3P thermodynamically stable?
What is the crystal structure of Mn3P?
What is the density of Mn3P?
How many polymorphs of Mn3P are known?
What elements does Mn3P contain?
Where does the data for Mn3P come from?
How It Compares
As a member of the binary manganese phosphide family, Mn3P occupies a specific niche defined by its metastable nature. Unlike more thermodynamically stable phases in the system, Mn3P requires precise synthesis conditions to stabilize, making it a critical focus for researchers studying phase competition and the structural diversity of metal-rich phosphides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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