Bi2Mg4
Bi2Mg4 is a semiconducting magnesium-bismuth intermetallic compound that exists as a metastable phase.
About Bi2Mg4
Bi2Mg4 is a semiconducting intermetallic compound composed of bismuth and magnesium. It represents a complex structural arrangement within the binary system, characterized by a significant number of reported configurations across various databases.
Due to its position relative to the thermodynamic stability hull, this compound is considered a metastable phase. Its existence is of interest to researchers studying phase formation and the structural diversity of magnesium-rich bismuthides.
Key Properties
Cross-validated computational properties for Bi2Mg4, 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 Bi2Mg4, 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/m (No. 12) | monoclinic | 0.00 | 0.1091 | -2.423 | 5.45 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1214 | -2.411 | 5.46 |
| Amm2 (No. 38) | orthorhombic | 0.88 | 0.1356 | -2.397 | 5.48 |
| R32 (No. 155) | trigonal | 0.00 | 0.1386 | -2.394 | 5.49 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1403 | -2.392 | 5.48 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1438 | -2.389 | 5.41 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1522 | -2.380 | 5.47 |
| P-62m (No. 189) | hexagonal | 0.00 | 0.1527 | -2.380 | 5.44 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1614 | -2.371 | 5.43 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1641 | -2.368 | 5.47 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1862 | -2.346 | 5.46 |
| Immm (No. 71) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Bi2Mg4, answered from cross-validated data.
What is Bi2Mg4?
Bi2Mg4 is a semiconducting magnesium-bismuth intermetallic compound that exists as a metastable phase.
What is the band gap of Bi2Mg4?
Is Bi2Mg4 a metal, semiconductor, or insulator?
Is Bi2Mg4 thermodynamically stable?
What is the crystal structure of Bi2Mg4?
What is the density of Bi2Mg4?
How many polymorphs of Bi2Mg4 are known?
What elements does Bi2Mg4 contain?
Where does the data for Bi2Mg4 come from?
How It Compares
As a unique binary compound, Bi2Mg4 serves as a focal point for investigating the structural landscape of the magnesium-bismuth system, where its metastable nature provides insight into the energetic barriers governing phase transitions in these materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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