MgVS2
MgVS2 is a metastable semiconducting sulfide compound containing magnesium and vanadium.
About MgVS2
MgVS2 is a ternary sulfide compound composed of magnesium, vanadium, and sulfur. As a semiconducting material, it represents a complex arrangement of elements that has been the subject of significant structural investigation across various crystallographic databases.
Because it is characterized as metastable, this compound offers unique challenges and opportunities for synthesis and materials engineering. Its electronic behavior makes it an intriguing candidate for research into advanced sulfide-based semiconductors and potential functional materials.
Key Properties
Cross-validated computational properties for MgVS2, aggregated across 2 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 MgVS2, 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. |
|---|---|---|---|---|---|
| F-43m (No. 216) | cubic | 0.02 | 0.0487 | -6.732 | 3.12 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0715 | -6.709 | 3.18 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1342 | -6.646 | 3.18 |
| I41/amd (No. 141) | tetragonal | 0.00 | 0.1430 | -6.460 | 3.02 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.1444 | -6.459 | 2.98 |
| P-3m1 (No. 164) | trigonal | 0.03 | 0.1875 | -6.416 | 3.07 |
| R-3m (No. 166) | trigonal | 0.22 | 0.2064 | -5.988 | 3.38 |
| P-3m1 (No. 164) | trigonal | 0.00 | 0.2157 | -6.388 | 3.38 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.2747 | -6.329 | 2.81 |
| P3m1 (No. 156) | trigonal | 0.00 | 0.2876 | -6.316 | 3.12 |
| R3m (No. 160) | trigonal | 0.74 | 0.2909 | -5.904 | 2.98 |
| R3m (No. 160) | trigonal | 0.19 | 0.3009 | -5.894 | 3.30 |
Applications
Where MgVS2 is used.
Frequently Asked Questions
Common questions about MgVS2, answered from cross-validated data.
What is MgVS2?
MgVS2 is a metastable semiconducting sulfide compound containing magnesium and vanadium.
What is MgVS2 used for?
What is the band gap of MgVS2?
Is MgVS2 a metal, semiconductor, or insulator?
Is MgVS2 thermodynamically stable?
What is the crystal structure of MgVS2?
What is the density of MgVS2?
How many polymorphs of MgVS2 are known?
What elements does MgVS2 contain?
Where does the data for MgVS2 come from?
How It Compares
As a unique ternary sulfide, MgVS2 occupies a distinct space in materials research. While it lacks direct structural siblings in this specific dataset, its metastable nature and semiconducting character position it as a specialized subject for those studying the phase stability of transition metal sulfides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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