MgP4
MgP4 is a thermodynamically stable semiconducting binary compound composed of magnesium and phosphorus.
About MgP4
MgP4 is a semiconducting magnesium phosphide that occupies a stable position on the convex hull, indicating significant thermodynamic robustness. Its structural versatility is highlighted by a substantial number of reported configurations across major materials databases, reflecting its complex bonding nature.
As a stable semiconductor, this compound serves as a compelling subject for materials researchers investigating phosphorus-rich binary systems. Its electronic character suggests potential utility in specialized semiconductor technologies where stable, non-oxide frameworks are required for performance.
Key Properties
Cross-validated computational properties for MgP4, 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 MgP4. 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 MgP4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.73 | 0.0000 | -4.957 | 2.50 |
| P21/c (No. 14) | monoclinic | 0.59 | 0.0000 | -0.376 | — |
| — | — | — | 0.0000 | -0.510 | — |
| P1 (No. 1) | triclinic | — | — | — | 4.54 |
| P-1 (No. 2) | triclinic | — | — | — | 3.02 |
| Pm (No. 6) | monoclinic | — | — | — | 2.95 |
| Pm (No. 6) | monoclinic | — | — | — | 2.54 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.50 |
| P21/c (No. 14) | monoclinic | — | — | — | 2.47 |
| Pm (No. 6) | monoclinic | — | — | — | 4.21 |
| Amm2 (No. 38) | orthorhombic | — | — | — | 2.96 |
| C2/m (No. 12) | monoclinic | — | — | — | 2.53 |
Applications
Where MgP4 is used.
Frequently Asked Questions
Common questions about MgP4, answered from cross-validated data.
What is MgP4?
MgP4 is a thermodynamically stable semiconducting binary compound composed of magnesium and phosphorus.
What is MgP4 used for?
What is the band gap of MgP4?
Is MgP4 a metal, semiconductor, or insulator?
Is MgP4 thermodynamically stable?
What is the crystal structure of MgP4?
What is the density of MgP4?
How many polymorphs of MgP4 are known?
What elements does MgP4 contain?
Where does the data for MgP4 come from?
How It Compares
As a unique binary phosphide, MgP4 represents a distinct structural arrangement within the magnesium-phosphorus system. Without direct analogues in this specific class, it stands as a primary reference point for studying the interplay between magnesium coordination and phosphorus network formation in stable, semiconducting architectures.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- 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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