Mg4Si3
This compound is a magnesium silicide phase that forms within binary alloy systems. It is primarily studied for its structural properties and potential roles in material science research concerning metal silicides.
Overview
Key Properties
Cross-validated computational properties for Mg4Si3, 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.
0.114 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.
Above hull
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
88
4 databases, 11 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Mg4Si3, 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-1 (No. 2) | triclinic | 0.00 | 0.1140 | -3.236 | 2.22 |
| P1 (No. 1) | triclinic | 0.00 | 0.1158 | -3.234 | 2.22 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1271 | -3.223 | 2.10 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1313 | -3.219 | 2.22 |
| R-3 (No. 148) | trigonal | 0.00 | 0.1382 | -3.212 | 2.26 |
| P1 (No. 1) | triclinic | 0.00 | 0.1436 | -3.206 | 2.14 |
| P1 (No. 1) | triclinic | 0.00 | 0.1450 | -3.205 | 2.17 |
| P1 (No. 1) | triclinic | 0.00 | 0.1462 | -3.204 | 2.25 |
| P1 (No. 1) | triclinic | 0.00 | 0.1474 | -3.203 | 2.20 |
| P1 (No. 1) | triclinic | 0.00 | 0.1477 | -3.202 | 2.23 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1484 | -3.201 | 2.15 |
| P1 (No. 1) | triclinic | 0.00 | 0.1531 | -3.197 | 2.12 |
Uses
Applications
Where Mg4Si3 is used.
Materials science researchAlloy development
Reference
Frequently Asked Questions
Common questions about Mg4Si3, answered from cross-validated data.
What is Mg4Si3?
This compound is a magnesium silicide phase that forms within binary alloy systems. It is primarily studied for its structural properties and potential roles in material science research concerning metal silicides.
More questions
What is Mg4Si3 used for?
Mg4Si3 is used in materials science research and alloy development.
What is the band gap of Mg4Si3?
Mg4Si3 is computed to be metallic (no band gap) in the reported DFT structures.
Is Mg4Si3 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Mg4Si3 thermodynamically stable?
Mg4Si3 has a lowest energy above hull of 0.114 eV/atom (above hull).
What is the crystal structure of Mg4Si3?
The lowest-energy reported polymorph of Mg4Si3 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Mg4Si3?
The computed density of the ground-state structure of Mg4Si3 is 2.22 g/cm³.
How many polymorphs of Mg4Si3 are known?
88 structures of Mg4Si3 are reported across 4 databases, spanning 11 distinct space groups.
What elements does Mg4Si3 contain?
Mg4Si3 contains Mg and Si (2 elements).
Where does the data for Mg4Si3 come from?
Mg4Si3 data is cross-referenced from materials_project.
Explore
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
Analyze Mg4Si3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →