Mg3Bi2
Mg3Bi2 is a thermodynamically stable semiconducting intermetallic compound composed of magnesium and bismuth.
About Mg3Bi2
Mg3Bi2 is a stable intermetallic compound formed from magnesium and bismuth. As a semiconducting material, it represents a significant subject of study for researchers investigating electronic materials with well-defined structural stability.
Its position on the convex hull confirms its thermodynamic robustness, making it a reliable candidate for experimental synthesis and characterization. With numerous reported structures, it serves as a foundational material for understanding binary metal-bismuth systems.
Key Properties
Cross-validated computational properties for Mg3Bi2, 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 Mg3Bi2, 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. |
|---|---|---|---|---|---|
| P-3m1 (No. 164) | trigonal | 0.00 | 0.0000 | -2.713 | 5.81 |
| Ia-3 (No. 206) | cubic | 0.31 | 0.0108 | -2.702 | 5.17 |
| P-3m1 (No. 164) | — | — | — | — | — |
| P-3m1 (No. 164) | — | — | — | — | — |
| C2 (No. 5) | Monoclinic | — | — | — | 5.88 |
| C2 (No. 5) | Monoclinic | — | — | — | 5.32 |
| R32 (No. 155) | Trigonal | — | — | — | 5.37 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 5.82 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 5.67 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 5.83 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.39 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.96 |
Applications
Where Mg3Bi2 is used.
Frequently Asked Questions
Common questions about Mg3Bi2, answered from cross-validated data.
What is Mg3Bi2?
Mg3Bi2 is a thermodynamically stable semiconducting intermetallic compound composed of magnesium and bismuth.
What is Mg3Bi2 used for?
What is the band gap of Mg3Bi2?
Is Mg3Bi2 a metal, semiconductor, or insulator?
Is Mg3Bi2 thermodynamically stable?
What is the crystal structure of Mg3Bi2?
What is the density of Mg3Bi2?
How many polymorphs of Mg3Bi2 are known?
What elements does Mg3Bi2 contain?
Where does the data for Mg3Bi2 come from?
How It Compares
As a standalone entry in this context, Mg3Bi2 serves as a primary example of a stable binary semiconductor within the magnesium-bismuth system, providing a structural benchmark for future exploration of similar intermetallic phases.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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