Mn4Mo2P24
Mn4Mo2P24 is a stable, semiconducting ternary phosphide containing manganese and molybdenum.
About Mn4Mo2P24
Mn4Mo2P24 is a complex inorganic compound composed of manganese, molybdenum, and phosphorus. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement that is well-suited for further investigation in materials research.
This material exhibits semiconducting electronic behavior, positioning it as an interesting candidate for electronic or optoelectronic applications. Its structural complexity is highlighted by multiple reported configurations across various databases, reflecting its significance in the study of transition metal phosphides.
Key Properties
Cross-validated computational properties for Mn4Mo2P24, 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 Mn4Mo2P24, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.12 | 0.0000 | -6.629 | 4.43 |
| — | — | — | — | — | 4.39 |
| — | — | — | — | — | 4.39 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| — | — | — | — | — | 4.39 |
Applications
Where Mn4Mo2P24 is used.
Frequently Asked Questions
Common questions about Mn4Mo2P24, answered from cross-validated data.
What is Mn4Mo2P24?
Mn4Mo2P24 is a stable, semiconducting ternary phosphide containing manganese and molybdenum.
What is Mn4Mo2P24 used for?
What is the band gap of Mn4Mo2P24?
Is Mn4Mo2P24 a metal, semiconductor, or insulator?
Is Mn4Mo2P24 thermodynamically stable?
What is the crystal structure of Mn4Mo2P24?
What is the density of Mn4Mo2P24?
How many polymorphs of Mn4Mo2P24 are known?
What elements does Mn4Mo2P24 contain?
Where does the data for Mn4Mo2P24 come from?
How It Compares
As a unique transition metal phosphide, Mn4Mo2P24 serves as a benchmark for stability within its specific compositional space. Unlike more common binary phosphides, this ternary system offers a distinct electronic profile that highlights the potential for tuning semiconducting properties through precise elemental integration.
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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