MgV2Zn4O8
This complex oxide is a multi-component ceramic material often studied for its structural and electronic properties. It is primarily utilized in materials science research to explore the behavior of transition metal ions within spinel-related crystal lattices.
MgOVZn
Overview
Key Properties
Cross-validated computational properties for MgV2Zn4O8, 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.
1.20–1.49 eV
Range across DFT structures
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.
0.157 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
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
16
2 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for MgV2Zn4O8, 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. |
|---|---|---|---|---|---|
| Imm2 (No. 44) | orthorhombic | 1.20 | 0.1569 | -6.354 | 5.04 |
| C2/m (No. 12) | monoclinic | 1.22 | 0.1707 | -6.340 | 5.18 |
| Imm2 (No. 44) | orthorhombic | 1.24 | 0.1723 | -6.338 | 5.05 |
| C2/m (No. 12) | monoclinic | 1.49 | 0.1801 | -6.331 | 5.22 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.04 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.33 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.48 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.32 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.61 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.46 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.05 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.64 |
Uses
Applications
Where MgV2Zn4O8 is used.
Materials science researchSolid-state chemistry studiesCatalysis development
Reference
Frequently Asked Questions
Common questions about MgV2Zn4O8, answered from cross-validated data.
What is MgV2Zn4O8?
This complex oxide is a multi-component ceramic material often studied for its structural and electronic properties. It is primarily utilized in materials science research to explore the behavior of transition metal ions within spinel-related crystal lattices.
What is MgV2Zn4O8 used for?
MgV2Zn4O8 is used in materials science research, solid-state chemistry studies, and catalysis development.
What is the band gap of MgV2Zn4O8?
MgV2Zn4O8 has a DFT-computed band gap of 1.20–1.49 eV across 16 reported structures.
Is MgV2Zn4O8 a metal, semiconductor, or insulator?
With a band gap up to 1.49 eV it is a semiconductor.
Is MgV2Zn4O8 thermodynamically stable?
MgV2Zn4O8 has a lowest energy above hull of 0.157 eV/atom (above hull).
What is the crystal structure of MgV2Zn4O8?
The lowest-energy reported polymorph of MgV2Zn4O8 is orthorhombic symmetry, space group Imm2 (No. 44).
What is the density of MgV2Zn4O8?
The computed density of the ground-state structure of MgV2Zn4O8 is 5.04 g/cm³.
How many polymorphs of MgV2Zn4O8 are known?
16 structures of MgV2Zn4O8 are reported across 2 databases, spanning 2 distinct space groups.
What elements does MgV2Zn4O8 contain?
MgV2Zn4O8 contains Mg, O, V, and Zn (4 elements).
Where does the data for MgV2Zn4O8 come from?
MgV2Zn4O8 data is cross-referenced from materials_project, mpaloe.
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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