Mg8Sr4
This intermetallic compound consists of magnesium and strontium arranged in a specific crystalline structure. It is primarily studied in the field of materials science for its structural properties and potential roles in advanced alloy development.
MgSr
Overview
Key Properties
Cross-validated computational properties for Mg8Sr4, aggregated across 5 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.
0.000 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.
On hull (stable)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
35
5 databases, 17 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Mg8Sr4, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 0.00 | 0.0000 | -7.918 | 2.41 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0045 | -7.914 | 2.40 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.0060 | -7.912 | 2.41 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0871 | -7.831 | 2.34 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1007 | -7.818 | 2.43 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1170 | -7.801 | 2.36 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1207 | -7.798 | 2.38 |
| P-62m (No. 189) | hexagonal | 0.00 | 0.1548 | -7.763 | 2.31 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.1583 | -7.760 | 2.36 |
| Cm (No. 8) | monoclinic | 0.00 | 0.1740 | -7.744 | 2.21 |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.2023 | -7.716 | 2.25 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.2533 | -7.665 | 2.27 |
Uses
Applications
Where Mg8Sr4 is used.
Materials science researchAlloy development studies
Reference
Frequently Asked Questions
Common questions about Mg8Sr4, answered from cross-validated data.
What is Mg8Sr4?
This intermetallic compound consists of magnesium and strontium arranged in a specific crystalline structure. It is primarily studied in the field of materials science for its structural properties and potential roles in advanced alloy development.
More questions
What is Mg8Sr4 used for?
Mg8Sr4 is used in materials science research and alloy development studies.
What is the band gap of Mg8Sr4?
Mg8Sr4 is computed to be metallic (no band gap) in the reported DFT structures.
Is Mg8Sr4 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Mg8Sr4 thermodynamically stable?
Yes — Mg8Sr4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Mg8Sr4?
The lowest-energy reported polymorph of Mg8Sr4 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of Mg8Sr4?
The computed density of the ground-state structure of Mg8Sr4 is 2.41 g/cm³.
How many polymorphs of Mg8Sr4 are known?
35 structures of Mg8Sr4 are reported across 5 databases, spanning 17 distinct space groups.
What elements does Mg8Sr4 contain?
Mg8Sr4 contains Mg and Sr (2 elements).
Where does the data for Mg8Sr4 come from?
Mg8Sr4 data is cross-referenced from materials_project, aflow, cod, 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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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