Mg4P8Si4
Mg4P8Si4 is a thermodynamically stable semiconducting compound composed of magnesium, phosphorus, and silicon.
About Mg4P8Si4
Mg4P8Si4 is a complex inorganic compound composed of magnesium, phosphorus, and silicon. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement that suggests significant potential for experimental synthesis and characterization.
This material exhibits semiconducting electronic character, making it an interesting candidate for research into new electronic and optoelectronic devices. Its presence across multiple databases highlights its status as a notable subject for computational materials science investigations.
Key Properties
Cross-validated computational properties for Mg4P8Si4, aggregated across 3 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 Mg4P8Si4, 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-42d (No. 122) | tetragonal | 1.37 | 0.0000 | -4.883 | 2.28 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.6989 | -4.184 | 2.95 |
| — | — | — | — | — | 2.51 |
| — | — | — | — | — | 2.23 |
| Pna21 (No. 33) | — | — | — | — | — |
| Pna21 (No. 33) | — | — | — | — | — |
| Pna21 (No. 33) | — | — | — | — | — |
Applications
Where Mg4P8Si4 is used.
Frequently Asked Questions
Common questions about Mg4P8Si4, answered from cross-validated data.
What is Mg4P8Si4?
Mg4P8Si4 is a thermodynamically stable semiconducting compound composed of magnesium, phosphorus, and silicon.
What is Mg4P8Si4 used for?
What is the band gap of Mg4P8Si4?
Is Mg4P8Si4 a metal, semiconductor, or insulator?
Is Mg4P8Si4 thermodynamically stable?
What is the crystal structure of Mg4P8Si4?
What is the density of Mg4P8Si4?
How many polymorphs of Mg4P8Si4 are known?
What elements does Mg4P8Si4 contain?
Where does the data for Mg4P8Si4 come from?
How It Compares
As a distinct ternary phase, Mg4P8Si4 occupies a unique position within the broader landscape of magnesium-phosphorus-silicon materials, serving as a stable reference point for exploring the electronic properties of this specific chemical system.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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