Mg3Mn
Mg3Mn is a metallic, metastable intermetallic compound formed from magnesium and manganese that is frequently observed in structural studies.
About Mg3Mn
Mg3Mn is a metallic intermetallic compound composed of magnesium and manganese. As a metallic phase, it exhibits characteristic electron delocalization typical of alloys in this chemical family, reflecting the interaction between the alkaline earth metal and the transition metal components. The compound is characterized as being above the thermodynamic hull, suggesting it is a metastable phase under standard conditions. Despite its instability, it has been the subject of extensive structural investigations, with numerous reported configurations across multiple materials databases.
Key Properties
Cross-validated computational properties for Mg3Mn, 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 Mg3Mn, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.1958 | -3.318 | 2.70 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.2029 | -3.310 | 2.67 |
| Pmm2 (No. 25) | orthorhombic | 0.00 | 0.2167 | -3.297 | 2.64 |
| P21/m (No. 11) | monoclinic | 0.00 | 0.4163 | -3.097 | 2.25 |
| — | — | — | — | — | 2.92 |
| Pm-3m (No. 221) | Cubic | — | — | — | 2.66 |
| — | — | — | — | — | 2.66 |
| — | — | — | — | — | 2.69 |
| Pm-3m (No. 221) | Cubic | — | — | — | 2.67 |
| Pm-3m (No. 221) | Cubic | — | — | — | 2.66 |
| Pm-3m (No. 221) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where Mg3Mn is used.
Frequently Asked Questions
Common questions about Mg3Mn, answered from cross-validated data.
What is Mg3Mn?
Mg3Mn is a metallic, metastable intermetallic compound formed from magnesium and manganese that is frequently observed in structural studies.
What is Mg3Mn used for?
What is the band gap of Mg3Mn?
Is Mg3Mn a metal, semiconductor, or insulator?
Is Mg3Mn thermodynamically stable?
What is the crystal structure of Mg3Mn?
What is the density of Mg3Mn?
How many polymorphs of Mg3Mn are known?
What elements does Mg3Mn contain?
Where does the data for Mg3Mn come from?
How It Compares
As a metastable intermetallic phase, Mg3Mn represents a complex structural challenge within the magnesium-manganese binary system. Unlike more stable, long-range ordered alloys, its existence as a frequently reported structure despite its position above the hull highlights the intricate kinetic pathways and structural diversity possible in these metal-rich systems.
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).
- mpaloe — Data from mpaloe.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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