Mg2Sb2
This compound is a binary intermetallic material composed of magnesium and antimony. It is primarily studied for its potential properties in thermoelectric energy conversion and semiconductor research.
MgSb
Overview
Key Properties
Cross-validated computational properties for Mg2Sb2, 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.
Metallic / not reported
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.
0.088 eV/atom
Best (lowest) across sources
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.
Metastable
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
44
4 databases, 20 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Mg2Sb2, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0883 | -3.148 | 4.73 |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0961 | -3.140 | 4.79 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1316 | -3.105 | 4.87 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.1415 | -3.095 | 4.60 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.1417 | -3.095 | 4.69 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1418 | -3.095 | 4.94 |
| C2 (No. 5) | monoclinic | 0.00 | 0.1426 | -3.094 | 4.72 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1453 | -3.091 | 4.83 |
| Pmma (No. 51) | orthorhombic | 0.00 | 0.1540 | -3.083 | 4.90 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.1691 | -3.067 | 4.97 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.1937 | -3.043 | 4.70 |
| P-6m2 (No. 187) | hexagonal | 0.00 | 0.2011 | -3.035 | 4.73 |
Uses
Applications
Where Mg2Sb2 is used.
Thermoelectric materials researchSemiconductor device development
Reference
Frequently Asked Questions
Common questions about Mg2Sb2, answered from cross-validated data.
What is Mg2Sb2?
This compound is a binary intermetallic material composed of magnesium and antimony. It is primarily studied for its potential properties in thermoelectric energy conversion and semiconductor research.
More questions
What is Mg2Sb2 used for?
Mg2Sb2 is used in thermoelectric materials research and semiconductor device development.
What is the band gap of Mg2Sb2?
Mg2Sb2 is computed to be metallic (no band gap) in the reported DFT structures.
Is Mg2Sb2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Mg2Sb2 thermodynamically stable?
Mg2Sb2 has a lowest energy above hull of 0.088 eV/atom (metastable).
What is the crystal structure of Mg2Sb2?
The lowest-energy reported polymorph of Mg2Sb2 is trigonal symmetry, space group R-3m (No. 166).
What is the density of Mg2Sb2?
The computed density of the ground-state structure of Mg2Sb2 is 4.73 g/cm³.
How many polymorphs of Mg2Sb2 are known?
44 structures of Mg2Sb2 are reported across 4 databases, spanning 20 distinct space groups.
What elements does Mg2Sb2 contain?
Mg2Sb2 contains Mg and Sb (2 elements).
Where does the data for Mg2Sb2 come from?
Mg2Sb2 data is cross-referenced from materials_project, aflow, nomad.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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