MgP
MgP is a metallic magnesium phosphide compound that exists in a metastable state.
About MgP
MgP is a metallic phosphide compound characterized by its lack of a band gap. As a material that sits above the thermodynamic hull, it is considered inherently unstable under standard conditions, representing a metastable phase of interest in fundamental materials science studies. Despite its instability, it has been the subject of significant structural investigation, appearing in numerous reported configurations across multiple databases. This high level of structural data suggests that while it may not be a conventional stable ground-state material, it remains a notable subject for researchers exploring the complex phase space of magnesium-phosphorus systems.
Key Properties
Cross-validated computational properties for MgP, 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.
Reported Structures
Lowest-energy structures reported for MgP, 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. |
|---|---|---|---|---|---|
| R32 (No. 155) | trigonal | 0.00 | 0.1745 | -3.909 | 2.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 1.79 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.47 |
| P2/c (No. 13) | Monoclinic | — | — | — | 2.63 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.61 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.18 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.99 |
| P21/m (No. 11) | Monoclinic | — | — | — | 2.07 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.52 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 1.78 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 1.33 |
| — | — | — | — | — | 2.62 |
Frequently Asked Questions
Common questions about MgP, answered from cross-validated data.
What is MgP?
MgP is a metallic magnesium phosphide compound that exists in a metastable state.
What is the band gap of MgP?
Is MgP a metal, semiconductor, or insulator?
Is MgP thermodynamically stable?
What is the crystal structure of MgP?
What is the density of MgP?
How many polymorphs of MgP are known?
What elements does MgP contain?
Where does the data for MgP come from?
How It Compares
As a unique binary compound in this system, MgP serves as a distinct point of study for understanding the structural diversity of magnesium phosphides. Unlike more stable, well-characterized phosphide phases, MgP is defined by its metallic electronic nature and its metastable status, providing researchers with a challenging case study in phase formation and structural complexity.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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