MgSbSr
MgSbSr is a thermodynamically stable semiconducting material composed of magnesium, antimony, and strontium.
About MgSbSr
MgSbSr is a complex inorganic compound composed of magnesium, antimony, and strontium. It exhibits a semiconducting electronic character, positioning it as an interesting candidate for specialized electronic and optoelectronic research applications.
As a thermodynamically stable phase located on the convex hull, this material demonstrates robust structural integrity. Its existence as a distinct crystalline phase makes it a subject of interest for fundamental studies into the behavior of ternary intermetallic semiconductors.
Key Properties
Cross-validated computational properties for MgSbSr, aggregated across 3 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of MgSbSr. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for MgSbSr, 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-3m1 (No. 164) | trigonal | 0.98 | 0.0000 | -3.458 | 4.26 |
| — | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 2.59 |
Applications
Where MgSbSr is used.
Frequently Asked Questions
Common questions about MgSbSr, answered from cross-validated data.
What is MgSbSr?
MgSbSr is a thermodynamically stable semiconducting material composed of magnesium, antimony, and strontium.
What is MgSbSr used for?
What is the band gap of MgSbSr?
Is MgSbSr a metal, semiconductor, or insulator?
Is MgSbSr thermodynamically stable?
What is the crystal structure of MgSbSr?
What is the density of MgSbSr?
How many polymorphs of MgSbSr are known?
What elements does MgSbSr contain?
Where does the data for MgSbSr come from?
How It Compares
As a ternary compound, MgSbSr represents a specific structural arrangement of alkaline earth and pnictogen elements. Without close structural siblings to compare it against, it serves as a unique reference point for exploring the electronic and thermodynamic landscape of Mg-Sb-Sr compositions.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- alexandria — Data from alexandria.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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