MgV4As2O13
MgV4As2O13 is a metastable, semiconducting inorganic compound composed of magnesium, vanadium, arsenic, and oxygen.
About MgV4As2O13
MgV4As2O13 is a complex inorganic compound featuring a combination of magnesium, vanadium, arsenic, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental solid-state research and potential functional applications. Its structural arrangement is characterized by a high degree of complexity, reflecting the diverse coordination environments of its constituent elements.
While this compound is classified as metastable, it represents a significant structural motif within its chemical family. The interplay between the transition metal vanadium and the arsenic-oxygen framework creates a distinct electronic landscape that differentiates it from more common binary or ternary oxides. Its study contributes to the broader understanding of how complex polyanionic networks influence the stability and electronic behavior of semiconducting materials.
Key Properties
Cross-validated computational properties for MgV4As2O13, 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 MgV4As2O13, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 1.27 | 0.0962 | -7.828 | 4.13 |
| P1 (No. 1) | triclinic | 1.55 | 0.1210 | -7.803 | 4.01 |
| P1 (No. 1) | triclinic | 0.72 | 0.1656 | -7.759 | 3.59 |
| P1 (No. 1) | triclinic | 1.29 | 0.1870 | -7.737 | 3.90 |
| P1 (No. 1) | Triclinic | — | — | — | 3.90 |
| P1 (No. 1) | Triclinic | — | — | — | 4.30 |
| P1 (No. 1) | Triclinic | — | — | — | 4.06 |
| P1 (No. 1) | Triclinic | — | — | — | 4.01 |
| P1 (No. 1) | Triclinic | — | — | — | 4.43 |
| P1 (No. 1) | Triclinic | — | — | — | 4.18 |
| P1 (No. 1) | Triclinic | — | — | — | 3.96 |
| P1 (No. 1) | Triclinic | — | — | — | 4.31 |
Applications
Where MgV4As2O13 is used.
Frequently Asked Questions
Common questions about MgV4As2O13, answered from cross-validated data.
What is MgV4As2O13?
MgV4As2O13 is a metastable, semiconducting inorganic compound composed of magnesium, vanadium, arsenic, and oxygen.
What is MgV4As2O13 used for?
What is the band gap of MgV4As2O13?
Is MgV4As2O13 a metal, semiconductor, or insulator?
Is MgV4As2O13 thermodynamically stable?
What is the crystal structure of MgV4As2O13?
What is the density of MgV4As2O13?
How many polymorphs of MgV4As2O13 are known?
What elements does MgV4As2O13 contain?
Where does the data for MgV4As2O13 come from?
How It Compares
As a unique member of its chemical group, MgV4As2O13 serves as an important reference point for exploring the structural diversity of complex arsenate-vanadates. Without direct structural siblings for comparison, it stands as a distinct example of how metastable phases can be stabilized through specific stoichiometry and atomic arrangement, providing a valuable case study for researchers investigating unconventional semiconducting oxides.
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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