MgSb3
MgSb3 is a metallic magnesium-antimony compound characterized by a high number of reported structural variations despite its potential thermodynamic instability.
About MgSb3
MgSb3 is a metallic compound composed of magnesium and antimony. It represents a complex structural arrangement that has been documented across multiple databases, reflecting a high level of interest in its potential atomic configurations.
Due to its position relative to the thermodynamic hull, this material is considered potentially unstable under standard conditions. Its metallic nature suggests interesting electron transport properties, making it a subject of ongoing theoretical investigation within the broader landscape of intermetallic compounds.
Key Properties
Cross-validated computational properties for MgSb3, aggregated across 4 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 MgSb3, 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. |
|---|---|---|---|---|---|
| Imm2 (No. 44) | orthorhombic | 0.00 | 0.2474 | -3.435 | 6.19 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.01 |
| — | — | — | — | — | 6.19 |
| — | — | — | — | — | 6.02 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 6.31 |
| — | — | — | — | — | 6.02 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 6.19 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 6.31 |
| C2/c (No. 15) | Monoclinic | — | — | — | 3.92 |
| Pm (No. 6) | Monoclinic | — | — | — | 8.44 |
| Pm (No. 6) | Monoclinic | — | — | — | 3.40 |
| P21/c (No. 14) | Monoclinic | — | — | — | 8.40 |
Frequently Asked Questions
Common questions about MgSb3, answered from cross-validated data.
What is MgSb3?
MgSb3 is a metallic magnesium-antimony compound characterized by a high number of reported structural variations despite its potential thermodynamic instability.
What is the band gap of MgSb3?
Is MgSb3 a metal, semiconductor, or insulator?
Is MgSb3 thermodynamically stable?
What is the crystal structure of MgSb3?
What is the density of MgSb3?
How many polymorphs of MgSb3 are known?
What elements does MgSb3 contain?
Where does the data for MgSb3 come from?
How It Compares
As a unique intermetallic phase, MgSb3 occupies a distinct space in materials research. Without direct structural siblings in this specific stoichiometry, it serves as a critical case study for understanding the stability limits and phase formation of magnesium-antimony systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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