MgSb2
MgSb2 is a metallic magnesium-antimony compound that exhibits significant structural diversity despite its metastable nature.
About MgSb2
MgSb2 is a metallic binary compound composed of magnesium and antimony. Its electronic character suggests conductive properties typical of intermetallic phases, though it exhibits a complex structural landscape with numerous reported configurations across various databases.
Due to its position relative to the thermodynamic hull, this material is considered metastable under standard conditions. Its study is primarily driven by the rich structural polymorphism observed, which provides valuable insights into the phase stability of magnesium-based pnictides.
Key Properties
Cross-validated computational properties for MgSb2, 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 MgSb2, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.00 | 0.1040 | -3.430 | 5.44 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1049 | -3.429 | 5.64 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1071 | -3.427 | 5.43 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1173 | -3.417 | 5.49 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1402 | -3.394 | 5.73 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1459 | -3.388 | 5.74 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1569 | -3.377 | 5.67 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.1583 | -3.376 | 5.76 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.49 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.64 |
| P2/c (No. 13) | Monoclinic | — | — | — | 5.04 |
| — | — | — | — | — | 5.55 |
Applications
Where MgSb2 is used.
Frequently Asked Questions
Common questions about MgSb2, answered from cross-validated data.
What is MgSb2?
MgSb2 is a metallic magnesium-antimony compound that exhibits significant structural diversity despite its metastable nature.
What is MgSb2 used for?
What is the band gap of MgSb2?
Is MgSb2 a metal, semiconductor, or insulator?
Is MgSb2 thermodynamically stable?
What is the crystal structure of MgSb2?
What is the density of MgSb2?
How many polymorphs of MgSb2 are known?
What elements does MgSb2 contain?
Where does the data for MgSb2 come from?
How It Compares
As a member of the magnesium-antimony system, MgSb2 represents a distinct structural arrangement compared to more stable, stoichiometry-optimized phases. While many binary intermetallics in this family are synthesized for thermoelectric or semiconductor applications, MgSb2 serves as a critical case study for understanding the limits of phase formation and structural complexity in non-equilibrium metallic 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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